Methyl Valeraldehyde

CAS No. 123-15-9

Formula: C6H12O
Basic Info

Formula
C6H12O
Molecular Weight
100.159
Exact Mass
100.089
LogP
1.6215
PSA
17.07
Synonyms

2-Methylpentanal

Pentanal, 2-methyl-

2-Methylvaleraldehyde

Methyl valeraldehyde

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Properties
Appearance & Physical State
Clear liquid
Density
0.808
Boiling Point
119-120ºC
Melting Point
-60ºC
Flash Point
62
Refractive Index
1.401
Storage Condition
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
Vapor Density
3.45 (vs air)
Vapor Pressure
16.9mmHg at 25°C
Safety Info
RTECS
RZ6905000
Safety Statements
S16-S26-S36
WGK Germany
1
Risk Statements
R11; R36/37/38; R52/53
HS Code
2912190090
RIDADR
UN 2367
Hazard Class
3
Packing Group
II
Hazard Codes
MSDS
SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl Valeraldehyde

1.2 Other means of identification

Product number -
Other names Pentanal, 2-methyl-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Skin irritation, Category 2

Skin sensitization, Category 1B

Eye irritation, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 3

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H402 Harmful to aquatic life

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P273 Avoid release to the environment.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
Methyl Valeraldehyde Methyl Valeraldehyde 123-15-9 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. (ERG, 2016)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. SMALL FIRE: Dry chemical, CO2, water spray or regular foam. LARGE FIRE: Water spray, fog or regular foam. Do not use straight streams. Move containers from fire area if you can do it without risk. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2016)

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. (ERG, 2016)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state Clear liquid
Colour COLORLESS LIQUID
Odour REMINISCENT OF HAM & CHEESE
Melting point/ freezing point 140°C(lit.)
Boiling point or initial boiling point and boiling range 296°C(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 20°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.56 mPa.s @ 20°C
Solubility Sol in water, ether, acetone, slightly sol in carbon tetrachloride.
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 16.9mmHg at 25°C
Density and/or relative density 0.808
Relative vapour density 3.45 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

FLAMMABLE; DANGEROUS FIRE RISK.ALPHA-METHYLVALERALDEHYDE is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

An estimated BCF value of 5.6 was calculated for 2-methylpentaldehyde(SRC), using an experimental water solubility of 4200 mg/L at 25°C(1) and a recommended regression-derived equation(2). According to a recommended classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms will not be an important fate process(SRC).

12.4 Mobility in soil

The Koc of 2-methylpentaldehyde is estimated as approximately 44(SRC), using an experimental water solubility of 4200 mg/L at 25°C(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that 2-methylpentaldehyde has very high mobility in soil(SRC).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2367 IMDG: UN2367 IATA: UN2367

14.2 UN Proper Shipping Name

ADR/RID: alpha-METHYL- VALERALDEHYDE
IMDG: alpha-METHYL- VALERALDEHYDE
IATA: alpha-METHYL- VALERALDEHYDE

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
Methyl Valeraldehyde Methyl Valeraldehyde 123-15-9 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS
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Section I.Chemical Product and Company Identification
    Chemical Name 2-Methyl-n-valeraldehyde
    Portland OR
    Synonym        2-Methylpentanal    
    Chemical Formula        CH3(CH2)2CH(CH3)CHO    
    CAS Number        123-15-9    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    2-Methyl-n-valeraldehyde        123-15-9        Min. 95.0 Not available.        Rat LD50 (oral) >3200mg/kg    
    Mouse LD50 (oral) >3200mg/kg
    (GC,T)

Section III. Hazards Identification
    Acute Health Effects        Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the    
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when
    handling this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
    not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum    
    of 15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
    supportively.
    Skin Contact        After contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin with    
    running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the
    irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively. Wash any contaminated
    clothing before reusing.
    Evacuate the victim to a safe area as soon as possible. Loosen tight clothing such as a collar, tie, belt or waistband. If
    Inhalation
    breathing is difficult, administer oxygen. If the victim is not breathing, perform artificial respiration. WARNING: It may be
    dangerous to the person providing aid to give mouth-to-mouth resuscitation when the inhaled material is toxic, infectious
    or corrosive. Seek medical attention. Treat symptomatically and supportively.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt, or waistband. If the victim is not breathing, administer artificial respiration.
    Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material
    was ingested; the absence of such signs, however, is not conclusive. Seek immediate medical attention and, if possible,
    show the chemical label. Treat symptomatically and supportively.

Section V. Fire and Explosion Data
    198°C (388.4°F)
    Auto-Ignition
    Flammability        Flammable.    
    Flammable Limits
    Flash Points        Not available.    
    16°C (60.8°F).
    Combustion Products        These products are toxic carbon oxides (CO, CO 2).    
    Fire Hazards
    Flammable liquid.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.    
    Risks of explosion of the product in presence of static discharge: Not available.
    No additional information is available regarding the risks of explosion.
    Continued on Next Page
    2-Methyl-n-valeraldehyde
    Fire Fighting Media
    Flammable liquid.
    and Instructions        SMALL FIRE: Use DRY chemicals, CO 2, alcohol foam or water spray.    
    LARGE FIRE: Use alcohol foam, water spray or fog. Cool containing vessels with water jet in order to prevent pressure
    build-up, autoignition or explosion. Consult with local fire authorities before attempting large scale fire-fighting operations.

Section VI.        Accidental Release Measures    
    Spill Cleanup
    Flammable liquid. Irritating material. Store material under nitrogen.
    Keep away from heat and sources of ignition. Mechanical exhaust required. Stop leak if without risk. Absorb with DRY
    Instructions
    earth, sand or other non-combustible material. DO NOT touch spilled material. Prevent entry into sewers, basements or
    confined areas; dike if needed. Eliminate all sources of ignition. Consult federal, state, and/or local authorities for
    assistance on disposal.

Section VII. Handling and Storage
    Handling and Storage        FLAMMABLE. IRRITANT. STORE UNDER NITROGEN. Keep away from heat and sources of ignition. Mechanical    
    exhaust required. Avoid excessive heat and light. DO NOT ingest. Do not breathe gas, fumes, vapor or spray. In case
    Information
    of insufficient ventilation, wear suitable respiratory equipment. If ingested, seek medical advice immediately and show the
    container or the label. Treat symptomatically and supportively. Avoid contact with skin and eyes.
    Always store away from incompatible compounds such as oxidizing agents, reducing agents, alkalis (bases).

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their    
    respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid
    Personal Protection
    inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
    this product.
    Exposure Limits
    Not available.

Section IX. Physical and Chemical Properties
    Physical state @ 20°C        Colorless liquid.        Solubility    
    Soluble in water, ether, and acetone.
    Slightly soluble in carbon tetrachloride.
    0.81
    Specific Gravity
    Molecular Weight        Partition Coefficient    
    100.16        Not available.    
    Boiling Point        Vapor Pressure    
    119 to 120°C (246.2 to 248°F)        Not available.    
    Melting Point        Not available.        Vapor Density        3.45    
    Refractive Index        1.4120 @ 20°C        Volatility        Not available.    
    Critical Temperature        Not available.        Odor        Reminiscent of ham and cheese.    
    Viscosity        Not available.        Taste        woody, oily ham taste.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with strong oxidizing agents, strong reducing agents, strong alkalis (bases).

Section XI. Toxicological Information
    RTECS Number        RZ6905000    
    Eye contact. Inhalation. Ingestion. Skin contact.
    Routes of Exposure
    Toxicity Data        Rat LD50 (oral) >3200mg/kg    
    Mouse LD50 (oral) >3200mg/kg
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
    known to aggravate existing medical conditions.
    Acute Toxic Effects        Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the    
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when
    handling this compound.
    Continued on Next Page
    2-Methyl-n-valeraldehyde

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    2-Methylpentaldehyde's production and use as a flavoring ingredient and an intermediate for dyes, resins, and
    Environmental Fate
    pharmaceuticals may result in its release to the environment through various waste streams. 2-Methylpentaldehyde is a
    volatile component in onion, garlic,milk, meat, and roasted peanuts. 2-Methylpentaldehyde has also been found in sea
    water near Denmark. If released to soil, 2-methylpentaldehyde will have very high mobility. Volatilization of
    2-methylpentaldehyde may be important from moist and dry soil surfaces. Insufficient experimetnal data are available to
    determine the rate or importance of biodegradation of 2-methylpentaldehyde in soil or water, but simple aldehydes are
    generally biodegradable. If released to water, 2-methylpentaldehyde may not adsorb to suspended solids and sediment.
    2-Methylpentaldehyde may volatilize from water surfaces with estimated half-lives for a model river and model lake of 5.3
    hours and 4.7 days, respectively. An estimated BCF value of 5.6, suggests that 2-methylpentaldehyde will not
    bioconcentrate in aquatic organisms. If released to the atmosphere, 2-methylpentaldehyde will exist in the vapor phase.
    Vapor-phase 2-methylpentaldehyde is degraded in the atmosphere by reaction with photochemically produced hydroxyl
    radicals with an estimated half-life of about 13 hours. The general population can be exposed to 2-methylpentaldehyde in
    food stuffs based on its natural existence as a volatile component in onion, garlic, milk, meat, and roasted peanuts, its use
    as a flavoring ingredient, and through ingestion, inhalation, and dermal contact. (SRC)

Section XIII. Disposal Considerations
    Waste Disposal        Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with    
    a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state, and local regulations when disposing of this substance.

Section XIV. Transport Information
    DOT Classification        DOT CLASS 3: Flammable liquid.    
    PIN Number
    Proper Shipping Name        alpha Methylvaleraldehyde    
    Packing Group (PG)        II    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.    
    (EPA)
    WHMIS Classification        WHMIS CLASS B-2: Flammable liquid with a flash point lower than 35°C (100°F).    
    (Canada)
    EINECS Number (EEC) 204-605-2
    EEC Risk Statements
    R11- Highly flammable.
    R18- In use, may form flammable/explosive vapor-air mixture.
    R36/37/38- Irritating to eyes, respiratory system and skin.
    Japanese Regulatory Data


SECTION 16 - ADDITIONAL INFORMATION
N/A
Spectrum
NMR Spectrum 1H NMR : 400 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass spectrum (electron ionization)
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Analysis Methods
Kovats' RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
736.
Temperature Control
Method
temperature ramp
Comments
60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; T<sub>end</sub>: 220. C
Reference
Takeoka, G.Perrino, C., Jr.Buttery, R.Volatile constituents of used frying oilsJ. Agric. Food Chem.1996, 44, 3, 654-660.
Kovats' RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
745.
Temperature Control
Method
temperature ramp
Comments
60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; T<sub>end</sub>: 220. C
Reference
Takeoka, G.Perrino, C., Jr.Buttery, R.Volatile constituents of used frying oilsJ. Agric. Food Chem.1996, 44, 3, 654-660.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
745.8
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/1. μm, He, 2.5 K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 200. C
Reference
Xu, X.van Stee, L.L.P.Williams, J.Beens, J.Adahchour, M.Vreuls, R.J.J.Brinkman, U.A.Th.Lelieveld, J.Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphereAtmos. Chem. Phys.2003, 3, 3, 665-682.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-1
Retention index
740.
Temperature Control
Method
temperature ramp
Comments
N2, 1. K/min; Column length: 183. m; T<sub>start</sub>: 0. C; T<sub>end</sub>: 230. C
Reference
Schreyen, L.Dirinck, P.van Wassenhove, F.Schamp, N.Volatile flavor components of leekJ. Agric. Food Chem.1976, 24, 2, 336-341.
Normal alkane RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
777.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, He, 5. K/min; T<sub>start</sub>: 35. C; T<sub>end</sub>: 150. C
Reference
Hanum, T.Sinha, N.K.Guyer, D.E.Cash, J.N.Pyruvate and flavor development in macerated onions (Allium cepa L.) by γ-glutamyl transpeptidase and exogenous C-S lyaseFood Chem.1995, 54, 2, 183-188.
Toxicity
ACUTE TOXICITY DATA
expand collapse
Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
>3200 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971
ACUTE TOXICITY DATA
expand collapse
Type of Test
LC - Lethal concentration
Exposure Route
Inhalation
Species Observed
Rodent - rat
Dose/Duration
>1500 ppm/6H
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971
ACUTE TOXICITY DATA
expand collapse
Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - mouse
Dose/Duration
>3200 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

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