allyl alcohol

General Material Information

Preferred name	allyl alcohol
Trivial Name	Allyl alcohol
Short Description	prop-2-en-1-ol
Formula	C3 H6 O
CAS Number	107-18-6
ECHA Number	203-470-7
FDA UNII	3W678R12M0
Nikkaji Number	J4.059B
Beilstein Number	0605307
MDL	MFCD00002920
COE Number	2136
Bio Activity Summary	External link
NMR Predictor	External link
Synonyms	3-hydroxy-1-propene 3-hydroxypropene prop-2-en-1-ol 2-propen-1-ol 2-propen-1-yl alcohol 1-propen-3-ol 2-propenol 2-propenyl alcohol vinyl carbinol vinylcarbinol 2-Propen-1-ol 1-Propen-3-ol 3-Hydroxypropene 2-Propenyl alcohol 2-Propenol Shell unkrauttod A Allylic alcohol 3-Hydroxy-1-propene 1-Hydroxy-2-propene NSC 6526 Prop-2-ene-1-ol Prop-2-en1-ol

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Literature & References

	prop-2-en-1-ol
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	107-18-6
Pubchem (cid):	7858
Pubchem (sid):	134972258

Publications by PubMed
Enhancement of allyl alcohol hepatotoxicity by endotoxin requires extrahepatic factors
Short-term toxicity of allyl alcohol in rats
NTP Technical Report on the comparative toxicity studies of allyl acetate (CAS No. 591-87-7), allyl alcohol (CAS No. 107-18-6) and acrolein (CAS No. 107-02-8) administered by gavage to F344/N rats and B6C3
Neutrophils contribute to endotoxin enhancement of allyl alcohol hepatotoxicity
A General Asymmetric Synthesis of (R)-Matsutakeol and Flavored Analogs
Synergistic antiyeast activity of garlic oil and allyl alcohol derived from alliin in garlic
Does External Exposure of Glycidol-Related Chemicals Influence the Forming of the Hemoglobin Adduct, N-(2,3-dihydroxypropyl)valine, as a Biomarker of Internal Exposure to Glycidol?
Allyl isothiocyanate is mutagenic in Salmonella typhimurium
Tissue repair plays pivotal role in final outcome of liver injury following chloroform and allyl alcohol binary mixture
In-situ modification, regeneration, and application of keratin biopolymer for arsenic removal
Synthesis of allyl esters of fatty acids and their ovicidal effect on Cydia pomonella (L.)
Survival and proliferation of alginate encapsulated Trichoderma spp. in Egyptian soil in comparison with allyl alcohol soil fumigation
Improving isopropanol tolerance and production of Clostridium beijerinckii DSM 6423 by random mutagenesis and genome shuffling
ENDOR characterization of an iron-alkene complex provides insight into a corresponding organometallic intermediate of nitrogenase
Liver regeneration: a critical toxicodynamic response in predictive toxicology
Applications of direct analysis in real time mass spectrometry (DART-MS) in Allium chemistry. 2-propenesulfenic and 2-propenesulfinic acids, diallyl trisulfane S-oxide, and other reactive sulfur compounds
Genomic indicators in the blood predict drug-induced liver injury
Production of Acetaldehyde by Zymomonas mobilis
Allyl alcohol as a nutrient for micro-organisms
Allium chemistry: synthesis, natural occurrence, biological activity, and chemistry of Se-alk(en)ylselenocysteines and their gamma-glutamyl derivatives and oxidation products
Coupling reactions of catechins with natural aldehydes and allyl alcohols and radical scavenging activities of the triglyceride-soluble products
[Screening of a low alcohol dehydrogenase activity mutant of rhizopus oryzae and the regulation of Zn2+ and Mg2+]
Limited infection without evidence of replication by porcine endogenous retrovirus in guinea pigs
Identification of allyl esters in garlic cheese
Enantioselective epoxidation with chiral MN(III)(salen) catalysts: kinetic resolution of aryl-substituted allylic alcohols

Other Information

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
CHEBI:	View
CHEMBL:	View
KEGG (GenomeNet):	C02001
HMDB (The Human Metabolome Database):	HMDB31652
FooDB:	FDB008312
Export Tariff Code:	2905.29.1000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View
Formulations/Preparations: industrial grade grades of purity: 98% soluble concentrate from shell chemical company hopkins allyl alcohol weed seed killer

Suppliers

Advanced Biotech	Indenta Group
LyondellBasell Industries	Sigma-Aldrich: Aldrich
Tengzhou Xiang Yuan Aroma Chemicals	Advanced Biotech. Inc.

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	58.080020904541
Specific gravity	@ 25 °C
Pounds per Gallon	7.081 to 7.123
Refractive Index	1.412 to 1.414 @ 20 °C
Boiling Point	97 to 98°C @ 760 mm Hg
Vapor Pressure	26.1 mmHg @ 25 °C
Vapor Density	2
Flash Point TCC Value	22.22 °C TCC
logP (o/w)	0.17
Solubility
alcohol	Yes
water, 1.00E+06 mg/L @ 20 °C (exp)	Yes

Organoleptic Properties

Odor Type: Alliaceous
pungent, mustard
General comment	At 0.10 % in dipropylene glycol. pungent mustard

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
T N - Toxic, Dangerous for the environment.
R 10 - Flammable. R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 28 - After contact with skin, wash immediately with plenty of water. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 64 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948. intraperitoneal-rat LD50 37 mg/kg Toxicology and Applied Pharmacology. Vol. 83, Pg. 108, 1986. oral-rabbit LD50 52 mg/kg National Technical Information Service. Vol. OTS0571508 oral-mouse LD50 96 mg/kg BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA AMA Archives of Industrial Health. Vol. 18, Pg. 303, 1958. intravenous-mouse LD50 78 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962. intraperitoneal-mouse LD50 60 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: EXCITEMENT AMA Archives of Industrial Health. Vol. 18, Pg. 303, 1958. parenteral-frog LDLo 51 mg/kg GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: EXCITEMENT Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935. oral-mammal (species unspecified) LD50 70 mg/kg Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
Dermal Toxicity:
skin-rabbit LD50 45 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948. subcutaneous-rabbit LDLo 100 mg/kg "Zur Pharmakologie Ungesattigter Alkohole, Dissertation," Bock, H., Pharmakologischen Institu der Universitat Breslau, Poland, 1930Vol. -, Pg. -, 1930.
Inhalation Toxicity:
inhalation-mouse LC50 500 mg/m3/2H "Zur Pharmakologie Ungesattigter Alkohole, Dissertation," Bock, H., Pharmakologischen Institu der Universitat Breslau, Poland, 1930Vol. -, Pg. -, 1930. inhalation-mammal (species unspecified) LC50 1000 mg/m3 Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. inhalation-mouse LC50 500 mg/m3/2H "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 17, 1982. inhalation-rabbit LCLo 1000 ppm/3.5H SENSE ORGANS AND SPECIAL SENSES: IRITIS: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA BLOOD: HEMORRHAGE JAMA, Journal of the American Medical Association. Vol. 98, Pg. 2269, 1932. inhalation-rat LC50 76 ppm/8H LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA AMA Archives of Industrial Health. Vol. 18, Pg. 303, 1958.