56-81-5 structure, C3H8O3

glycerol

CAS No.

56-81-5

Formula:

C3H8O3

Basic Info

Glycerol (also called glycerine or glycerin; see spelling differences) is a simple polyol compound. It is a colorless, odorless, viscous liquid that is sweet-tasting and non-toxic. The glycerol backbone is found in all lipids known as triglycerides. It is widely used in the food industry as a sweetener and humectant and in pharmaceutical formulations. Glycerol has three hydroxyl groups that are responsible for its solubility in water and its hygroscopic nature.

Formula
C3H8O3
Molecular Weight
92.0938
Exact Mass
92.0473
LogP
-1.6681
PSA
60.69
Synonyms

Glycerin

1,2,3-trihydroxypropane

Glycerol

1,2,3-Propanetriol

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Properties

Appearance & Physical State
Clear, colorless, viscous liquid
Density
1.25
Boiling Point
290ºC
Melting Point
18ºC
Flash Point
160ºC
Refractive Index
1.452-1.475
Water Solubility
>500 g/L (20 ºC)
Stability
Stable. Incompatible with perchloric acid, lead oxide, acetic anhydride, nitrobenzene, chlorine, peroxides, strong acids, strong bases. Combustible.
Storage Condition
2-8ºC
Vapor Density
3.1 (vs air)
Vapor Pressure
<1 mm Hg ( 20 °C)

Safety Info

RTECS
MA8050000
Safety Statements
S24/25-S39-S26
WGK Germany
1
Risk Statements
R36; R20/21/22; R11
HS Code
2905450000
RIDADR
UN 1282 3/PG 2
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 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name glycerol

1.2 Other means of identification

Product number -
Other names Glycerin

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Solvents
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

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

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
glycerol glycerol 56-81-5 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

Fresh air, rest.

In case of skin contact

Rinse skin with plenty of water or shower. Rinse skin with plenty of water or shower.

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Rinse mouth.

4.2 Most important symptoms/effects, acute and delayed

No hazard (USCG, 1999)

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

The clinician should attend to the management of dehydration, electrolyte imbalance (hypokalemia and hyponatremia), hyperglycemia, and acidosis or alkalosis. ... /Osmotic diuretics/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Water or foam may cause frothing.

5.2 Specific hazards arising from the chemical

This chemical is combustible.

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

Ventilation. Collect leaking and spilled liquid in covered containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Wear approved respiratory protection, chemically compatible gloves and protective clothing. Wipe up spillage or collect spillage using a high efficiency vacuum cleaner. Avoid breathing vapor. Place spillage in appropriately labelled container 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

Separated from strong oxidants.Glycerol should preferably be stored at 40 - 60°C under nitrogen blanketing. It is not corrosive and presents little risk of ignition because of its high flash point. Highly concentrated glycerol does not corrode steel, but storage tanks of carbon steel must be protected by surface coating to prevent rusting by residual moisture. Glycerol is therefore usually stored in tanks of stainless steel or aluminum.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

NIOSH concluded that the documentation cited by OSHA was inadequate to support the proposed PEL (as an 8 hour TWA) of 10 mg/cu m for glycerine (mist).

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, colorless, viscous liquid
Colour Syrupy, rhombic plates
Odour MILD ODOR
Melting point/ freezing point -55°C(lit.)
Boiling point or initial boiling point and boiling range 182°C/20mmHg(lit.)
Flammability Class IIIB Combustible Liquid: Fl.P. at or above 93.33°C.Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 160°C
Auto-ignition temperature 370°C
Decomposition temperature no data available
pH Neutral to litmus
Kinematic viscosity 954 CENTIPOISES AT 25 DEG C; 17 CENTIPOISES AT 25 DEG C (70% SOLN)
Solubility In water:>500 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = -1.76
Vapour pressure <1 mm Hg ( 20 °C)
Density and/or relative density 1.25g/mL(lit.)
Relative vapour density 3.1 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Mixtures of glycerin with water, ethanol (95%), and propylene glycol are chemically stable. Glycerin may crystallize if stored at low temperatures; the crystals do not melt until warmed to 20°C.

10.3 Possibility of hazardous reactions

GLYCERINE is incompatible with strong oxidizers. It is also incompatible with hydrogen peroxide, potassium permanganate, nitric acid + sulfuric acid, perchloric acid + lead oxide, acetic anhydride, aniline + nitrobenzene, Ca(OCl)2, CrO3, F2 + PbO, KMnO4, K2O2, AgClO4 and NaH. A mixture with chlorine explodes if heated to 158-80°C. It reacts with acetic acid, potassium peroxide, sodium peroxide, hydrochloric acid, (HClO4 + PbO) and Na2O2. Contact with potassium chlorate may be explosive. It also reacts with ethylene oxide, perchloric acid, nitric acid + hydrofluoric acid and phosphorus triiodide.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Exothermic interaction of granular /sodium/ hydride with undiluted (viscous) glycerol with inadequate stirring caused charring to occur.

10.6 Hazardous decomposition products

Pure gycerin is not prone to oxidation by the atmosphere under ordinary conditions, but is decomposes on heating with the evolution of toxic acrolein.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 12.6 g/kg
  • Inhalation: LC50 Rat inhalation > 570 mg/cu m/1 hr
  • 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: LC50; Species: Daphnia magna (Water flea, age < or = 24 hr); Conditions: freshwater, static, 20-22°C; Concentration: >10000 mg/L for 24 hr /formulated product
  • Toxicity to algae: Toxicity threshold (cell multiplication inhibition test) Algae (Microcystis aeruginosa) 2900 mg/l
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Glycerin, present at 100 mg/L, reached 63% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(1). Biodegradation rate constants of 0.258/day and 0.200/day in respirometric test systems employing activated sludge have also been reported, corresponding to 68% and 78% degradation, respectively(2).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for glycerin(SRC), using a log Kow of -1.76(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of glycerin can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that glycerin is expected to have very high mobility in soil.

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: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.2 UN Proper Shipping Name

ADR/RID: unknown
IMDG: unknown
IATA: unknown

14.3 Transport hazard class(es)

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.4 Packing group, if applicable

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

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
glycerol glycerol 56-81-5 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 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 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        Glycerol    
    [Matrix for FABMS and liquid SIMS]
    Portland OR
    Synonym        1,2,3-Propanetriol; Glycerin    
    Chemical Formula        HOCH2CH(OH)CH2OH    
    CAS Number        56-81-5    

Section II.        Composition and Information on Ingredients    
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL    
    Glycerol        ---------- Not available.        R/1aHt LC50 (inhalation) >570mg/m3    
    56-81-5
    [Matrix for FABMS and liquid SIMS]
    Rat LD50 (oral) 12600mg/kg
    Rabbit LD50 (dermal) >10gm/kg

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.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Reproductive Effects:
    Rat TDLo (Intratesticular) 280 mg/kg, male 2 days prior to mating.
    Toxic Effects:
    Paternal Effects - Spermatogenesis.
    Paternal Effects - Testes, epididymis, sperm duct.
    Rat TDLo (oral) 100 mg/kg, male 1 day prior to mating.
    Toxic Effects:
    Effects on Fertility - Post-implantation mortality.
    Monkey TDLo (Intratesticular)119 mg/kg, male 1 day prior to mating.
    Toxic Effects:
    Paternal Effects - Spermatogenesis.
    Paternal Effects - Testes, epididymis, sperm duct.
    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. In case of contact, immediately flush eyes with plenty of water for at least 15
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    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, perform mouth-to-mouth
    resuscitation. 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.
    Continued on Next Page
    Glycerol
    [Matrix for FABMS and liquid SIMS]

Section V.        Fire and Explosion Data    
    Auto-Ignition        >200°C (392°F)    
    Flammability        May be combustible at high temperature.    
    Flash Points        Flammable Limits        LOWER: 0.9%    
    176°C (348.8°F).
    Combustion Products        These products are toxic carbon oxides (CO, CO 2).    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.

Section VI.        Accidental Release Measures    
    Spill Cleanup
    Hygroscopic material. Irritating material. Store in freezer.
    If the product is in its solid form: Use a shovel to put the material into a convenient waste disposal container. If the
    Instructions
    product is in its liquid form: Absorb with an inert material and put the spilled material in an appropriate waste disposal.
    Finish cleaning the spill by rinsing any contaminated surfaces with copious amounts of water. Consult federal, state,
    and/or local authorities for assistance on disposal.

Section VII. Handling and Storage
    Handling and Storage        HYGROSCOPIC. IRRITANT. STORE IN FREEZER. Keep away from heat. Mechanical exhaust required. When not in    
    use, tightly seal the container and store in a dry, cool place. Avoid excessive heat and light. DO NOT ingest. Do not
    Information
    breathe gas/fumes/ vapor/spray. If ingested, seek medical advice immediately and show the container or the label. Treat
    symptomatically and supportively.
    Always store away from incompatible compounds such as oxidizing 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.
    Personal Protection        Splash goggles. Lab coat. Vapor respirator. Boots. Suggested protective clothing might not be sufficient; consult a    
    specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent. Gloves.
    Exposure Limits
    Not available.

Section IX. Physical and Chemical Properties
    Physical state @ 20°C        Liquid. (Syrupy Colorless, clear.)        Solubility    
    Miscible with water, alcohol.
    One part dissolves in 11 parts ethyl
    1.2613 (water=1)
    Specific Gravity        acetate, about 500 parts ethyl ether.    
    Insoluble in benzene, chloroform, carbon
    tetrachloride, carbon disulfide, petroleum
    ether, oils.
    Molecular Weight        92.09        Partition Coefficient        Not available.    
    Boiling Point
    290°C (554°F) (Dec.)        Vapor Pressure        <0.1 kPa (@ 20°C)    
    Melting Point        20°C (68°F)        Vapor Density        3.17 (Air = 1)    
    Refractive Index        1.4730 @ 25°C        Volatility        Not available.    
    Critical Temperature        Not available.        Odor        Not available.    
    Viscosity        Dynamic: 954 cP @ 25°C        Taste        Sweet.    

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 alkalis (bases).    
    Continued on Next Page
    Glycerol
    [Matrix for FABMS and liquid SIMS]

Section XI.        Toxicological Information    
    RTECS Number        MA8050000    
    Routes of Exposure        Eye Contact. Ingestion. inhalation.    
    Rat LC50 (inhalation) >570mg/m3/1H
    Toxicity Data
    Rat LD50 (oral) 12600mg/kg
    Rabbit LD50 (dermal) >10gm/kg
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Reproductive Effects:
    Rat TDLo (Intratesticular) 280 mg/kg, male 2 days prior to mating.
    Toxic Effects:
    Paternal Effects - Spermatogenesis.
    Paternal Effects - Testes, epididymis, sperm duct.
    Rat TDLo (oral) 100 mg/kg, male 1 day prior to mating.
    Toxic Effects:
    Effects on Fertility - Post-implantation mortality.
    Monkey TDLo (Intratesticular)119 mg/kg, male 1 day prior to mating.
    Toxic Effects:
    Paternal Effects - Spermatogenesis.
    Paternal Effects - Testes, epididymis, sperm duct.
    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.

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Glycerin is produced in large quantities synthetically and used in thousands of applications. It may be released to the    
    environment in industrial effluent and during the use and disposal of the numerous products in which it is contained. If
    released to soil, glycerin is expected to undergo rapid biodegradation under aerobic conditions. It is expected to display
    very high mobility in soil and it is not expected to significantly volatilize to the atmosphere. If released to water, glycerin is
    expected to rapidly degrade under aerobic conditions. Biodegradation in seawater and under anaerobic conditions is also
    expected. Glycerin is not expected to bioconcentrate is fish and aquatic organisms nor is it expected to adsorb to
    sediment and suspended organic matter. Volatilization to the atmosphere is expected to be slower then for water itself. If
    released to the atmosphere, glycerin may undergo a gas-phase oxidation with photochemically produced hydroxyl radicals
    with a half-life of 33 hrs. It may also undergo atmospheric removal by wet deposition processes. Occupational exposure to
    glycerin may occur by dermal contact during its production and use. Exposure to the general population may occur by
    dermal contact or ingestion due to the wide variety of food and personal care products in which it is contained.

Section XIII. Disposal Considerations
    Waste Disposal        Recycle to process, if possible. Consult your local 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 the substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        Not applicable.    
    Proper Shipping Name        Not applicable.    
    Packing Group (PG)
    Not applicable.
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory (EPA) This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.
    WHMIS Classification (Canada) Not available.
    EINECS Number (EEC)
    200-289-5
    EEC Risk Statements
    R36/37/38- Irritating to eyes, respiratory system and skin.
    Japanese Regulatory Data        Not available.    
    Continued on Next Page


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : 400 MHz in DMSO-d6
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IR Spectrum IR : liquid film
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Mass Spectrum Mass
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Raman Spectrum Raman : 4880 A,200 M,liquid
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Analysis Methods

Van Den Dool and Kratz RI, polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-Wax
Retention index
2322.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 250. C @ 15. min
Reference
Pozo-Bayon M.A.Ruiz-Rodriguez A.Pernin K.Cayot N.Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakesJ. Agric. Food Chem.2007, 55, 4, 1418-1426.
Van Den Dool and Kratz RI, polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-Wax
Retention index
2314.
Temperature Control
Method
temperature ramp
Comments
60. m/0.25 mm/0.25 μm, 2. K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 230. C
Reference
Shimoda, M.Shigematsu, H.Shiratsuchi, H.Osajima, Y.Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusionJ. Agric. Food Chem.1995, 43, 6, 1616-1620.
Normal alkane RI, polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
TC-Wax
Retention index
2300.
Temperature Control
Method
temperature ramp
Comments
He, 4. K/min, 250. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm; T<sub>start</sub>: 80. C
Reference
Miyazawa, M.Okuno, Y.Volatile components from the roots of Scrophularia ningpoensis Hemsl.Flavour Fragr. J.2003, 18, 5, 398-400.

Related Compound Information