| Identification | More | [Name]
Allyl alcohol | [CAS]
107-18-6 | [Synonyms]
2-PROPEN-1-OL
2-PROPENE-1-OL
2-PROPENOL
AA
ALLYL ALCOHOL
ALLYL ALCOHOL, POLYMER-BOUND
1-propene-3-ol
1-propenol-[3]
1-Propenol-3
1-Propenol-3-ol
2-propen-1-ol (allyl alcohol)
2-Propenyl alcohol
2-propenylalcohol
3-Hydroxy-1-propene
4-Quinolinecarboxylic acid, 2-phenyl-
Aaalcool allilco
Alcool allilco
Alcool allylique
alcoolallilco
alcoolallylique | [EINECS(EC#)]
203-470-7 | [Molecular Formula]
C3H6O | [MDL Number]
MFCD00002920 | [Molecular Weight]
58.08 | [MOL File]
107-18-6.mol |
| Chemical Properties | Back Directory | [Appearance]
Allyl alcohol is a flammable, colorless liquid. It has a pungent, mustard-like odor | [Melting point ]
-129 °C | [Boiling point ]
96-98 °C(lit.) | [density ]
0.854 g/mL at 25 °C(lit.)
| [vapor density ]
2 (vs air)
| [vapor pressure ]
23.8 mm Hg ( 25 °C)
| [refractive index ]
n20/D 1.412(lit.)
| [Fp ]
21°C | [storage temp. ]
Flammables area | [solubility ]
Miscible with alcohol, chloroform, ether, and petroleum ether (Windholz et al., 1983) | [form ]
Liquid | [pka]
15.5(at 25℃) | [color ]
Clear | [Odor]
Characteristic, pungent; sharp; causes tears. | [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-bromoaniline, sodium, potassium, magnesium, aluminium. Polymerizes during prolonged storage. | [explosive limit]
18% | [Odor Type]
alliaceous | [Water Solubility ]
MISCIBLE | [FreezingPoint ]
-129℃ | [Merck ]
14,286 | [BRN ]
605307 | [Henry's Law Constant]
(x 10-6 atm?m3/mol):
5.00 at 25 °C (Hine and Mookerjee, 1975) | [Dielectric constant]
22.0（14℃） | [Exposure limits]
TLV-TWA 5 mg/m3 (2 ppm); STEL 10
mg/m3 (4 ppm) (ACGIH); IDLH 150 ppm. | [LogP]
0.17 at 25℃ | [CAS DataBase Reference]
107-18-6(CAS DataBase Reference) | [NIST Chemistry Reference]
2-Propen-1-ol(107-18-6) | [EPA Substance Registry System]
107-18-6(EPA Substance) |
| Hazard Information | Back Directory | [Chemical Properties]
Allyl alcohol is a colorless liquid with a mustard-like odor. It is used in making drugs, organic
chemicals, pesticides, in the manufacture of allyl esters, and as monomers and prepolymers
for the manufacture of resins and plastics. It has a large use in the preparation of pharmaceutical
products, in organic synthesis, and as a fungicide and herbicide. Occupational workers
engaged in industries such as the manufacture of drugs, pesticides, allyl esters, organic
chemicals, resins, war gas, and plasticizers, are often exposed to this alcohol. | [General Description]
A clear colorless liquid with a mustard-like odor. Flash point 70°F. Very toxic by inhalation and ingestion. Less dense than water (7.1 lb/gal). Vapors are heavier than air. Prolonged exposure to low concentrations or short exposure to high concentrations may have adverse health effects from inhalation. | [Reactivity Profile]
ALLYL ALCOHOL(107-18-6) 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(107-18-6) 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]. | [Air & Water Reactions]
Highly flammable. Water soluble. | [Hazard]
Toxic by skin absorption. Eye and upper
respiratory tract irritant. Questionable carcinogen.
| [Health Hazard]
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. | [Health Hazard]
Exposure to high concentrations of allyl alcohol vapors causes irritation to the eyes, skin,
and upper respiratory tract. Laboratory studies with animals have shown the symptoms
of local muscle spasms, pulmonary edema, and tissue damage to the liver and kidney,
convulsions, and death. | [Potential Exposure]
Used to make other chemicals and pharmaceuticals; as a laboratory chemical. Not currently registered in the United States as a pesticide or fungicide | [Fire Hazard]
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. | [First aid]
If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed.
| [Shipping]
UN1098 Allyl alcohol Hazard class: 6.1; Labels: 6.1-Poison Inhalation Hazard, 3-Flammable liquids, Inhalation Hazard Zone B. | [Incompatibilities]
May form explosive mixture with air. Reacts explosively with carbon tetrachloride, strong bases. Also incompatible with strong acids. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides. Polymerization may be caused by heat above 99 C, peroxides, or oxidizers. | [Waste Disposal]
Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (≥100 kg/mo) must conform with EPA regulations governing storage, transportation, treatment, and waste disposal. Incineration after dilution with a flammable solvent. | [Physical properties]
Colorless, mobile liquid with a pungent, mustard-like odor at high concentrations. At low
concentrations, odor resembles that of ethyl alcohol. Katz and Talbert (1930) and Dravnieks
(1974) reported experimental detection odor threshold concentrations of 3.3 mg/m3 (1.4 ppmv) and
5 mg/m3 (2.1 ppmv), respectively. | [Application]
Allyl alcohol is used to produce glyceroland acrolein and other allylic compounds. It is also used in the manufacture of militarypoison gas. The ester derivatives are used inresins and plasticizers. | [Uses]
Allyl alcohol is used as an intermediate compound for synthesizing raw materials such as epichlorohydrin C3H5ClO and 1,4- butanediol C4H10O2, and this development is bringing about expansion of the range of uses of allyl alcohol. The term allyl of allyl compounds is derived from allium, the Latin word for garlic. | [Uses]
Allyl alcohol is used to produce glyceroland acrolein and other allylic compounds. Itis also used in the manufacture of militarypoison gas. The ester derivatives are used inresins and plasticizers. | [Uses]
Used to induce a mouse model of liver damage that has been used to study the mechanisms of hepatotoxicity and hepatic stem cell-mediated repair. | [Definition]
ChEBI: A propenol in which the C2C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds. | [Production Methods]
Allyl alcohol is prepared by several different processes, the original is alkaline hydrolysis of allyl chloride
by steam injection at high temperatures. A more recent
commercial process used oxidation of propylene to acrolein,
which in turn reacts with a secondary alcohol to yield
allyl alcohol and a ketone. In this process, allyl alcohol is
not isolated, but its aqueous stream is converted directly to
glycerol. The most recent commercial process is isomerization
of propylene oxide over a lithium phosphate catalyst. | [Origin]
Allyl alcohol was first prepared in 1856 by A. CAHOURS and A. W. HOFMANN by saponification of allyl iodide.
| [Flammability and Explosibility]
Flammable | [Chemical Reactivity]
Reactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable at ordinary temperatures and pressures; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent. | [Carcinogenicity]
Male and female F344 rats were
given allyl alcohol in the drinking water at a concentration of
0 or 300 mg/L for 106 weeks. The incidence of tumors was
similar to that in controls . Male and female hamsters
were administered 2 mg allyl alcohol by oral gavage once a
week for 60 weeks. The incidence of tumors did not increase
significantly compared to controls. | [Purification Methods]
It can be dried with K2CO3 or CaSO4, or by azeotropic distillation with *benzene followed by distillation under nitrogen. It is difficult to obtain it free of peroxide. It has also been refluxed with magnesium and fractionally distilled [Hands & Norman Ind Chem 21 307 1945]. [Beilstein 1 IV 2079.] | [Environmental Fate]
The vapor pressure of allyl alcohol, 26.1mmHg at 25°C, indicates that if released in the air, it will exist mainly as a vapor in the ambient atmosphere. If released to soil, allyl alcohol is expected to have very high mobility based upon an estimated Koc of 1.3 and will be distributed mainly in the water and soil. If released into water, allyl alcohol will stay in the water and is not expected to adsorb to suspended solids and sediments. Allyl alcohol is stable in water since it lacks functional groups that hydrolyze under environmental conditions and hence hydrolysis is not expected to be an important environmental fate process. In an aerobic biodegradation study, allyl alcohol was found to readily degradable (82–86%) in 14 days. The estimated bioconcentration factor of 3.2 based on the low log Kow indicates that the potential to bioaccumulate in aquatic organisms is expected to be low. | [Toxicity evaluation]
Allyl alcohol is a colorless water soluble liquid. The melting
point, boiling point, vapor pressure, and the octanol–water
partition coefficient (log Kow) are 129°C, 97°°C, 26.1mmHg
at 25°C, and 0.17, respectively. The Henry’s law constant is
4.99×10-6 atm-m3 mol-1. Allyl alcohol’s production, its use as
an industrial solvent and as a raw material/intermediate in the
preparation of pharmaceuticals, polymers, organic chemicals, in
the manufacture of glycerol and acrolein, and in the production
of insecticides and herbicides, may result in its release to the
environment. The vapor pressure of allyl alcohol, 26.1mmHg
at 25°C, indicates that if released in the air, it will exist mainly
as a vapor in the ambient atmosphere. If released to soil, allyl
alcohol is expected to have very high mobility based upon an
estimated Koc of 1.3 and will be distributed mainly in the water
and soil. If released into water, allyl alcohol will stay in the water and is not expected to adsorb to suspended solids and
sediments. Allyl alcohol is stable in water since it lacks functional
groups that hydrolyze under environmental conditions
and hence hydrolysis is not expected to be an important
environmental fate process. In an aerobic biodegradation
study, allyl alcohol was found to readily degradable (82–86%)
in 14 days. The estimated bioconcentration factor of 3.2 based
on the low log Kow indicates that the potential to bioaccumulate
in aquatic organisms is expected to be low. |
| Safety Data | Back Directory | [Hazard Codes ]
T,N | [Risk Statements ]
R10:Flammable.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R50:Very Toxic to aquatic organisms. | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
UN 1098 6.1/PG 1
| [WGK Germany ]
2
| [RTECS ]
BA5075000
| [Autoignition Temperature]
712 °F | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
I | [HS Code ]
29052910 | [Precautions]
Occupational workers should be careful during handling and use of allyl alcohol and wear | [Safety Profile]
Suspected carcinogen. Poison by inhalation, ingestion, skin contact, subcutaneous, intraperitoneal, and possibly other routes. A slim, severe eye (human), and systemic irritant. Mutation data reported. Dangerous fire and explosion hazard when exposed to heat, flame, or oxidizers. Explosive or violent reaction with sulfuric acid, alkali + 2,4,6-trichloro-1,3,5triazine, or 2,4,6-tris(bromoamino)-1,3,5triazine. Reaction with carbon tetrachloride produces explosively unstable halogenated C4 epoxides. Incompatible with chlorosulfonic acid, HNO3, H2SO4, oleum, NaOH, dallyl phosphte, PCl3, and tri-nbromomelamine. When heated to decomposition it emits acrid smoke and fumes. To fight fire, use CO2, alcohol foam, dry chemical. See also ALLYL COMPOUNDS. | [Hazardous Substances Data]
107-18-6(Hazardous Substances Data) | [Toxicity]
LD50 orally in rats: 64 mg/kg (Smyth, Carpenter) | [IDLA]
20 ppm |
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