3913-81-3 structure, C10H18O

3-Heptylacrolein

CAS No.

3913-81-3

Formula:

C10H18O

Basic Info

Formula
C10H18O
Molecular Weight
154.249
Exact Mass
154.136
LogP
3.102
PSA
17.07
Synonyms

trans-2-Decenal

trans-2-Decenal  (contains trans-2-Decenal Diethyl Acetal)

2-trans-decenal

2-Decenal, (E)-

trans-dec-2-en-1-al

(E)-Dec-2-enal

T2 DECENAL

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Properties

Appearance & Physical State
clear colorless to light yellow liquid
Density
0.841
Boiling Point
78-80ºC (3 mmHg)
Flash Point
96ºC
Refractive Index
1.451-1.46
Water Solubility
INSOLUBLE
Storage Condition
0-6ºC

Safety Info

RTECS
HE2070000
Safety Statements
S26-S36/37/39-S60-S61
WGK Germany
3
Risk Statements
R41; R43; R50/53
HS Code
2912190090
RIDADR
UN 3082
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 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Heptylacrolein

1.2 Other means of identification

Product number -
Other names trans-2-Decenal

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

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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.

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

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
3-Heptylacrolein 3-Heptylacrolein 3913-81-3 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

no data available

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

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

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 colorless to light yellow liquid
Colour no data available
Odour no data available
Melting point/ freezing point -75°C(lit.)
Boiling point or initial boiling point and boiling range 80°C/3mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 108°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:INSOLUBLE
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure no data available
Density and/or relative density 0.841
Relative vapour density no data available
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

no data available

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

no data available

12.4 Mobility in soil

no data available

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: UN3082 IMDG: UN3082 IATA: UN3082

14.2 UN Proper Shipping Name

ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S.
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S.
IATA: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 9 IMDG: 9 IATA: 9

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

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
3-Heptylacrolein 3-Heptylacrolein 3913-81-3 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 Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 11, 2017
Revision Date Aug 11, 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        trans-2-Decen-1-al    
    (contains trans-2-Decen-1-al Diethylacetal)(10% in Ethanol)
    Ethanol
    Portland OR
    Synonym        Not available.    
    Chemical Formula        C10H18O    
    3913-81-3
    CAS Number
    64-17-5 (Ethanol)

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    trans-2-Decen-1-al        3913-81-3        Ca. 10%        This chemical is classified as a (Ethanol)    
    (contains trans-2-Decen-1-al Diethylacetal)(10% in Ethanol)
    64-17-5        Ca. 90        possible carcinogen. There is Rat LD50 (oral) 7060 mg/kg    
    Ethanol
    %(Ethanol)        no acceptable exposure limit for Mouse LD50 (oral) 3450 mg/kg    
    (Ethanol)
    a carcinogen.
    This compound is classified as
    a mutagen. There is no
    acceptable exposure limit for a
    mutagen.

Section III. Hazards Identification
    Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death.
    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: Reproductive effects
    (Ethanol)
    Rat LDLo (Intraperitoneal) 600 mg/kg Feamel 8-15 days of pregnancy.
    Toxic effects:
    Effects on fertility- Post-implantation mortality
    Effects on Embryo or Fetus- Extra embryonic structures
    Effects on Embryo or Fetus- Fetotoxicity
    Rat TDLo (Oral) 135 gm/kg Female 1 day of pregnancy-7 days after birth
    Toxic effects:
    Effects on Newborn- Behavioral
    Effects on Newborn- Physical
    Rat TDLo (Oral) 147 mg/kg Feamle 1-21 days of pregnancy.
    Toxic effects:
    Specific Developmental Abnormalities- Endocrine system
    Effects on Newborn- Delayed effects
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
    many human organs.
    Continued on Next Page
    trans-2-Decen-1-al
    (contains trans-2-Decen-1-al Diethylacetal)(10% in Ethanol)
    Ethanol

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 for at least 15 minutes while removing contaminated clothing    
    and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention immediately.
    If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
    Inhalation
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
    Ingestion
    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.

Section V.        Fire and Explosion Data    
    363°C (685.4°F) (Ethanol)
    Flammable.        Auto-Ignition    
    Flammability
    Flash Points        Flammable Limits        LOWER: 3.3% UPPER: 19% (Ethanol)    
    12°C (53.6°F).
    These products are toxic carbon oxides (CO, CO2).
    Combustion Products
    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
    Flammable liquid.
    SMALL FIRE: Use DRY chemical powder.
    and Instructions
    LARGE FIRE: Use alcohol foam, water spray or fog.
    Consult with local fire authorities before attempting large scale fire-fighting operations.

Section VI.        Accidental Release Measures    
    Spill Cleanup        Flammable liquid. Toxic material. Irritating material. Mutagenic material. Possibly carcinogenic material. Environmentally    
    hazardous material. Hygroscopic material.
    Instructions
    Keep away from heat. Mechanical exhaust required. Stop leak if without risk. Absorb with DRY earth, sand or other
    non-combustible material. DO NOT get water inside container. DO NOT touch spilled material. Use water spray to reduce
    vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Consult federal, state, and/or local
    authorities for assistance on disposal.

Section VII. Handling and Storage
    FLAMMABLE. TOXIC. IRRITANT. MUTAGEN. POSSIBLE CARCINOGEN. ENVIRONMENTAL HAZARD. HYGROSCOPIC.
    Handling and Storage
    Keep locked up. Keep away from heat. Mechanical exhaust required. Avoid excessive heat and light. DO NOT ingest. Do
    Information
    not breathe gas/fumes/ vapor/spray. Wear suitable protective clothing. 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.

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. Gloves. A MSHA/NIOSH approved respirator must be used to avoid    
    inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this
    product.
    Exposure Limits        This chemical is classified as a possible carcinogen. There is no acceptable exposure limit for a carcinogen.    
    This compound is classified as a mutagen. There is no acceptable exposure limit for a mutagen.

Section IX. Physical and Chemical Properties
    Physical state @ 20°C        Liquid. (Clear. Colorless, slightly pale        Solubility        Soluble in alcohol.    
    yellow.)
    0.84 (water=1)
    Specific Gravity
    0.79 (Ethanol)
    Molecular Weight        154.25        Partition Coefficient        LOG Pow: 3.792    
    LOG Pow: -0.32 (Ethanol)
    46.07 (ethanol)
    Boiling Point        78°C - 80°C (172.4°F - 176°F) (ethanol)        Vapor Pressure        5.8 kPa @ 20°C (Ethanol)    
    Melting Point        Not available.        Vapor Density        1.6 (Ethanol)    
    Not available.        Not available.    
    Refractive Index        Volatility    
    Not available.
    Critical Temperature        Not available.        Odor    
    Viscosity        Not available.        Taste        Not available.    
    Continued on Next Page
    trans-2-Decen-1-al
    (contains trans-2-Decen-1-al Diethylacetal)(10% in Ethanol)
    Ethanol

Section X.        Stability and Reactivity Data    

This material is stable if stored under proper conditions. (See Section VII for instructions)
    Stability
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities        Reactive with oxidizing agents.    
    Reactive with peroxides, ammonia, alkali metals. (Ethanol)

Section XI. Toxicological Information
    KQ6300000 (Ethanol)
    RTECS Number
    Eye Contact. Ingestion. Inhalation.
    Routes of Exposure
    (Ethanol)
    Toxicity Data
    Rat LD50 (oral) 7060 mg/kg
    Mouse LD50 (oral) 3450 mg/kg
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Reproductive effects
    (Ethanol)
    Rat LDLo (Intraperitoneal) 600 mg/kg Feamel 8-15 days of pregnancy.
    Toxic effects:
    Effects on fertility- Post-implantation mortality
    Effects on Embryo or Fetus- Extra embryonic structures
    Effects on Embryo or Fetus- Fetotoxicity
    Rat TDLo (Oral) 135 gm/kg Female 1 day of pregnancy-7 days after birth
    Toxic effects:
    Effects on Newborn- Behavioral
    Effects on Newborn- Physical
    Rat TDLo (Oral) 147 mg/kg Feamle 1-21 days of pregnancy.
    Toxic effects:
    Specific Developmental Abnormalities- Endocrine system
    Effects on Newborn- Delayed effects
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or many
    human organs.
    Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death.
    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    
    Not available.
    Ecotoxicity
    Environmental Fate        Not available.    

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    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        DOT CLASS 3: Flammable liquid    
    PIN Number
    Proper Shipping Name        Ethanol solution.    
    Packing Group (PG)        II    
    DOT Pictograms
    Continued on Next Page
    trans-2-Decen-1-al
    (contains trans-2-Decen-1-al Diethylacetal)(10% in Ethanol)
    Ethanol

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        CLASS B-2: Flammable liquid with a flash point lower than 37.8°C (100°F).    
    On DSL.
    (Canada)
    EINECS Number (EEC)        223-474-2    
    200-578-6 (Ethanol)
    EEC Risk Statements        R10- Flammable.    
    R18- In use, may form flammable/explosive vapor-air mixture.
    R46- May cause heritable genetic damage.
    R47- May cause birth defects.
    R23/24/25- Toxic by inhalation, in contact with skin and if swallowed.
    R36/37/38- Irritating to eyes, respiratory system and skin.
    R51- Toxic to aquatic organisms.
    R53- May cause long-term adverse effects in the aquatic environment.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Synthesis Route

1.Synthesis Route
2.Synthesis Route
3.Synthesis Route

Related Compound Information