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Allyl alcohol

Allyl alcohol
Allyl alcohol structure
CAS No.
107-18-6
Chemical Name:
Allyl alcohol
Synonyms
AA;allylal;Allyl al;Propenol;weeddrench;2-PROPENOL;Propenol-3;CH2=CHCH2OH;allyalcohol;Weed drench
CBNumber:
CB8852704
Molecular Formula:
C3H6O
Formula Weight:
58.08
MOL File:
107-18-6.mol

Allyl alcohol Properties

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.)
Flash point:
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.
explosive limit
18%
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)
Exposure limits
TLV-TWA 5 mg/m3 (2 ppm); STEL 10 mg/m3 (4 ppm) (ACGIH); IDLH 150 ppm.
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.
CAS DataBase Reference
107-18-6(CAS DataBase Reference)
NIST Chemistry Reference
2-Propen-1-ol(107-18-6)
EPA Substance Registry System
2-Propen-1-ol(107-18-6)
SAFETY
  • Risk and Safety Statements
Symbol(GHS) 
GHS02,GHS06,GHS09
Signal word  Danger
Hazard statements  H225-H301-H311-H315-H319-H331-H335-H400
Precautionary statements  P210-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes  T,N
Risk Statements  10-23/24/25-36/37/38-50
Safety Statements  36/37/39-38-45-61
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
Toxicity LD50 orally in rats: 64 mg/kg (Smyth, Carpenter)

NFPA 704

Diamond Hazard Value Description
3
4 1
Health   4 Very short exposure could cause death or major residual injury (e.g. hydrogen cyanide, phosgene, methyl isocyanate, hydrofluoric acid)
Flammability   3 Liquids and solids (including finely divided suspended solids) that can be ignited under almost all ambient temperature conditions . Liquids having a flash point below 22.8 °C (73 °F) and having a boiling point at or above 37.8 °C (100 °F) or having a flash point between 22.8 and 37.8 °C (73 and 100 °F). (e.g. gasoline, acetone)
Instability   1 Normally stable, but can become unstable at elevated temperatures and pressures (e.g. propene)
Special  

(NFPA, 2010)

Allyl alcohol Chemical Properties,Uses,Production

Chemical Properties

colourless liquid with a mustard-like odour

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.

Chemical Properties

Allyl alcohol is a flammable, colorless liquid. It has a pungent, mustard-like odor

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.

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.

Uses

manufacture of allyl Compounds, war gas, resins, plasticizers.

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.

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.

Air & Water Reactions

Highly flammable. Water soluble.

Reactivity Profile

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].

Hazard

Toxic by skin absorption. Eye and upper respiratory tract irritant. Questionable carcinogen.

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.

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

The toxicity of allyl alcohol is moderatelyhigh, affecting primarily the eyes. Theother target organs are the skin andrespiratory system. Inhalation causes eyeirritation and tissue damage. A 25-ppmexposure level is reported to produce asevere eye irritation. It may cause atemporary lacrimatory effect, manifested byphotophobia and blurred vision, for somehours after exposure. Occasional exposureof a person to allyl alcohol does notindicate chronic or cumulative toxicity.Dogterom and associates (1988) investigatedthe toxicity of allyl alcohol in isolated rathepatocytes. The toxicity was independent oflipid peroxidation, and acrylate was found tobe the toxic metabolite
Ingestion of this compound may causeirritation of the intestinal tract. The oral LD50value in rats is 64 mg/kg (NIOSH 1986)..

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.

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.

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.

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

Environmental Fate

Biological. Bridié et al. (1979) reported BOD and COD values of 1.79 and 2.12 g/g using filtered effluent from a biological sanitary waste treatment plant. These values were determined using a standard dilution method at 20 °C for a period of 5 d. The ThOD for allyl alcohol is 2.21 g/g.
Photolytic. Atkinson (1985) reported a rate constant of 2.59 x 10-11 cm3/molecule?sec at 298 K. Based on an atmospheric OH concentration of 1.0 x 106 molecule/cm3, the reported half-life of allyl alcohol is 0.35 d. The reaction of allyl alcohol results in the OH addition to the C=C bond (Grosjean, 1997). In a similar study, Orlando et al. (2001) studied the reaction of allyl alcohol with OH radicals at 298 K. Photolysis was conducted using a xenon-arc lamp within the range of 240– 400 nm in synthetic air at 700 mmHg. A rate constant of 4.5 x 10-11 cm3/molecule?sec was reported. Products identified were formaldehyde, glycolaldehyde, and acrolein.
Chemical/Physical. Slowly polymerizes with time into a viscous liquid (Windholz et al., 1983). Polymerization may be caused by elevated temperatures, oxidizers, or peroxides (NIOSH, 1997).

Shipping

UN1098 Allyl alcohol Hazard class: 6.1; Labels: 6.1-Poison Inhalation Hazard, 3-Flammable liquids, Inhalation Hazard Zone B.

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.]

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.

Precautions

Occupational workers should be careful during handling and use of allyl alcohol and wear

Allyl alcohol Preparation Products And Raw materials

Raw materials

Preparation Products


Allyl alcohol Spectrum


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