allyl alcohol
CAS No.: 107-18-6 Formula: C3H6O Molecular Weight: 58.07910

allyl alcohol

CAS No.: 107-18-6 Formula: C3H6O Molecular Weight: 58.07910
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Description

Allyl alcohol (IUPAC name: 3-propenol) is an organic compound with the structural formula CH2=CHCH2OH. Like many alcohols, it is a water-soluble, colourless liquid, but it is more toxic than typical small alcohols. Allyl alcohol is used as a raw material for the production of glycerol, but is also used as a precursor to many specialized compounds such as flame-resistant materials, drying oils, and plasticizers. Today allyl alcohol can be obtained by many methods. Allyl alcohol is the smallest representative of the allylic alcohols.

Basic Info

Chemical Name allyl alcohol
Synonyms

2-propen-1-ol; prop-2-en-1-ol; Allylalcohol; Allyl alcohol;

CAS No. 107-18-6
Molecular Formula C3H6O
Molecular Weight 58.07910
PSA 20.23000
LogP 0.16470

Properties

Appearance & Physical State clear liquid, pungent odor.
Density 0.854
Boiling Point 96-98ºC
Melting Point -129ºC
Freezing Point -129℃
Flash Point 21ºC
Refractive Index 1.4119-1.4139
Water Solubility MISCIBLE
Stability Stability Flammable. Note low flash point and wide explosive limits. Forms explosive mixtures with air. Incompatible with strong oxidizing agents, strong acids, oleum, diallyl phosphite, metal halides, sodium hydroxide, tetrachloromethane, tri-N-bromoanili
Storage Condition Flammables area
Vapor Density 2 (vs air)
Vapor Pressure 23.8 mm Hg ( 25 °C)

Safety Info

RTECS BA5075000
Hazard Class 6.1
Safety Statements S36/37/39-S38-S45-S61
HS Code 2906199090
Packing Group I
WGK Germany 2
RIDADR UN 1098
Risk Statements R10; R23/24/25; R36/37/38; R50
Hazard Codes T
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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 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name allyl alcohol

1.2 Other means of identification

Product number -
Other names 2-propen-1-ol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Intermediates
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

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity – single exposure, Category 3

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H301 Toxic if swallowed

H311 Toxic in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H331 Toxic if inhaled

H335 May cause respiratory irritation

H400 Very toxic to aquatic life

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.

P270 Do not eat, drink or smoke when using this product.

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

P271 Use only outdoors or in a well-ventilated area.

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.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

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

P330 Rinse mouth.

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

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

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.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P311 Call a POISON CENTER/doctor/…

P391 Collect spillage.

Storage

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

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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
allyl alcohol allyl alcohol 107-18-6 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

Remove contaminated clothes. Rinse and then wash skin with water and soap.

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. Give one or two glasses of water to drink. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Rest. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Allyl alcohol is an intense irritant to skin, eyes, nose, and throat. It causes burns on contact, and may cause pulmonary edema if inhaled. It is poisonous in small quantities. The probable oral lethal dose is 50-500 mg/kg, or between 1 teaspoonful and 1 ounce for a 150-lb. person. (EPA, 1998)

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

Inhibitors of alcohol dehydrogenase prevent periportal liver necrosis in animals treated with allyl alcohol.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, dry chemical, "alcohol resistant" foam, or carbon dioxide. Water may be ineffective. Use water spray to keep fire-exposed containers cool.

5.2 Specific hazards arising from the chemical

Allyl alcohol vapor may explode if ignited in confined areas. Combustion products may be poisonous. The vapor is heavier than air and flashback along vapor trail may occur. Gives off toxic fumes when heated. May react vigorously with oxidizing materials, carbon tetrachloride, acids, oleum, sodium hydroxide, diallyl phosphite, potassium chloride, or tri-n-bromomelamine. (EPA, 1998)

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

Personal protection: complete protective clothing including self-contained breathing apparatus. Remove all ignition sources. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable 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

Releases may require isolation or evacuation. Stop or control the leak, if this can be done without undue risk. Use water spray to cool and disperse vapors, protect personnel, and dilute spills to form nonflammable mixtures. Approach release from upwind. Eliminate all ignition sources. Control runoff and isolate discharged material for proper 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

Fireproof. Separated from strong oxidants and food and feedstuffs.Separate from oxidizing materials. Store in a dry, cool, well-ventilated location.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10-hour Time-Weighted Average: 2 ppm (5 mg/cu m), Skin.

Recommended Exposure Limit: 15 minute Short-Term Exposure Limit: 4 ppm ( 10 mg/cu m), Skin.

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, pungent odor.
Colour Mobile liquid
Odour Pungent, mustard-like odor
Melting point/ freezing point -129ºC
Boiling point or initial boiling point and boiling range 96-98ºC
Flammability Class IB Flammable Liquid: Fl.P. below 22.78°C and BP at or above 37.78°C.Flammable.
Lower and upper explosion limit / flammability limit Lower flammable limit:2.5% by volume; Upper flammable limit:18.0% by volume
Flash point 21ºC
Auto-ignition temperature 442.78°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity 1.218 mPa s at 25°C; 0.759 mPa s at 50°C; 0.505 mPa s at 75°C
Solubility In water:MISCIBLE
Partition coefficient n-octanol/water (log value) log Kow = 0.17
Vapour pressure 23.8 mm Hg ( 25 °C)
Density and/or relative density 0.854
Relative vapour density 2 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Upon storage for several years allyl alcohol polymerizes and a thick syrup is formed (insol in water, sol in chloroform) which on treatment with ether yields a brittle resinoid mass.

10.3 Possibility of hazardous reactions

AT 22 DEG C, LIQUID GIVES OFF FLAMMABLE CONCN OF VAPOR IN AIR.ALLYL ALCOHOL presents a dangerous fire and explosion hazard when exposed to heat, flame, or oxidizing agents. Reacts violently or explosively with sulfuric acid, strong bases. Reacts violently with 2,4,6-trichloro-1,3,5-triazine and 2,4,6-tris(bromoamino)-1,3,5-triazine. Reacts with carbon tetrachloride to produce explosively unstable products [Lewis]. Mixing allyl alcohol in equal molar portions with any of the following substances in a closed container caused the temperature and pressure to increase: chlorosulfonic acid, nitric acid, oleum, sulfuric acid [NFPA 491M. 1991].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

A reaction between allyl alcohol and carbon tetrachloride produced trichlorobutylene epoxide (oxide) and dichlorobutylene epoxide (oxide), a mixture which during distillation proved to be unstable and detonated in the still.

10.6 Hazardous decomposition products

Energy of decomposition (in range 360-500°C) measured as 0.69 kJ/g.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 85 mg/kg
  • Inhalation: LC50 Rat inhalation 165 ppm/4 hr
  • Dermal: LD50 Rabbit percutaneous 89 mg/kg

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

A4; Not classifiable as a human carcinogen.

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: LC50; Species: Pimephales promelas (Fathead Minnow) juvenile, weight 0.2-0.5 g; Conditions: freshwater, static, 20°C, pH 6.5-8.5, dissolved oxygen >40%; Concentration: 320 ug/L for 96 hr /formulation
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (Water Flea); Conditions: freshwater, static; Concentration: 4900 ug/L for 24 hr; Effect: behavior equilibrium /formulation
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Allyl alcohol, present at 100 mg/L, reached 86% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test which classified allyl alcohol as readily biodegradable(1). Following incubation of 20°C with settled sewage seed, 2.5 ppm of allyl alcohol had degraded to 9.1, 55.0, 78.2, and 81.8% of the theoretical BOD after 5, 10, 15, and 20 days, respectively(2). In a 5 day BOD test, 81% of the theoretical oxygen demand was observed following incubation of allyl alcohol at 20°C with a sewage seed(3). Allyl alcohol (25 ppm) was found to degrade 100 and 60% in marine and river water after 3 days at 30°C, respectively(4). Half-lives of 10.2 and 9.5 days at 20°C were found for allyl alcohol with Texas soil (pH 7.8, 3.25% organic matter) and Mississippi soil (pH 4.8, <1% organic matter), respectively(5).

12.3 Bioaccumulative potential

An estimated BCF of 3 in fish was calculated for allyl alcohol(SRC), using a log Kow of 0.17(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). The uptake of (14)C-allyl alcohol residues by lettuce and carrots was investigated in the greenhouse(4); uptake of residues was higher by carrots than by lettuce, and higher by lettuce roots than by lettuce tops(4); no bioaccumulation was observed(4).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc for allyl alcohol can be estimated to be 2(SRC). According to a classification scheme(2), this estimated Koc value suggests that allyl alcohol is expected to have very high mobility in soil. Leaching of allyl alcohol from soil surface to deeper layers was found to rank in order of sand > sandy loam > humus sand(3). The percent leached after 2 days and 400 mL of water with sand containing 0.51% and 2.89% organic matter were 100 and 83.3%, respectively(3). Freundlich adsorption coefficients for allyl alcohol in Texas soil (pH 7.8, 3.25% organic matter) and Mississippi soil (pH 4.8, <1% organic matter) were 4.5X10-3 and 3.3X10-4, respectively(4).

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: UN1098 IMDG: UN1098 IATA: UN1098

14.2 UN Proper Shipping Name

ADR/RID: ALLYL ALCOHOL
IMDG: ALLYL ALCOHOL
IATA: ALLYL ALCOHOL

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: I IMDG: I IATA: I

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

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
allyl alcohol allyl alcohol 107-18-6 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 Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 19, 2017
Revision Date Aug 19, 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 Expand
1H NMR : 90 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 90 MHz in CDCl3

Collapse

C3 H6 O 0.02 ml : 0.5 ml CDCl3
allyl alcohol

Assign. Shift(ppm)
A 5.991
B 5.29
C 5.16
D 4.148
E 1.97

IR : liquid filmExpand
Mass spectrum (electron ionization)Expand
Raman : 4880 A,200 M,liquidExpand
ESR : GAMMA-IRRAD. WITH TEAExpand
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