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allyl alcohol
prop-2-en-1-ol

Supplier Sponsors

Name:prop-2-en-1-ol
CAS Number: 107-18-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-470-7
FDA UNII:3W678R12M0
Nikkaji Web:J4.059B
Beilstein Number:0605307
MDL:MFCD00002920
CoE Number:2136
XlogP3:0.20 (est)
Molecular Weight:58.08002000
Formula:C3 H6 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:02.068 (Old)
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85100 to 0.85600 @ 25.00 °C.
Pounds per Gallon - (est).: 7.081 to 7.123
Refractive Index:1.41200 to 1.41400 @ 20.00 °C.
Melting Point:-129.00 °C. @ 760.00 mm Hg
Boiling Point: 97.00 to 98.00 °C. @ 760.00 mm Hg
Vapor Pressure:26.100000 mm/Hg @ 25.00 °C.
Vapor Density:2.0 ( Air = 1 )
Flash Point: 72.00 °F. TCC ( 22.22 °C. )
logP (o/w): 0.170
Soluble in:
 alcohol
 water, 1.00E+06 mg/L @ 20 °C (exp)
Similar Items:note
2-propen-1-one
 
Organoleptic Properties:
Odor Type: alliaceous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
pungent mustard
Odor Description:at 0.10 % in dipropylene glycol. pungent mustard
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Advanced Biotech
ALLYL ALCOHOL NATURAL
Indenta Group
Allyl Alcohol
LyondellBasell Industries
Allyl Alcohol
Novacyl
Allyl Alcohol Ultra Pure
Sigma-Aldrich: Aldrich
For experimental / research use only.
Allyl alcohol ≥99%
Tengzhou Xiang Yuan Aroma Chemicals
Allyl Alcohol
 
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.

 
Safety in Use Information:
Category: flavoring agents
IFRA: View Standard
Recommendation for allyl alcohol usage levels up to:
 not for fragrance use.
 
 
Safety References:
EPI System: View
EPA-Iris:IRIS
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Carcinogenic Potency Database:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):107-18-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7858
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1098
WGK Germany:2
prop-2-en-1-ol
Chemidplus:0000107186
EPA/NOAA CAMEO:hazardous materials
RTECS:107-18-6
 
References:
 prop-2-en-1-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:107-18-6
Pubchem (cid):7858
Pubchem (sid):134972258
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
Formulations/Preparations:
industrial grade grades of purity: 98% soluble concentrate from shell chemical company hopkins allyl alcohol weed seed killer
 
Potential Blenders and core components note
For Odor
alliaceous
dibutyl sulfide
FL/FR
floral
2-
phenyl-2-pentenal
FL/FR
fruity
furfuryl acetate
FL/FR
hexyl (E)-tiglate
FL/FR
green
(Z)-
leaf acetal
FL/FR
1-
penten-3-ol
FL/FR
musty
cocoa butenal
FL/FR
nutty
shoyu pyrazine
FL/FR
2,4,5-
trimethyl oxazole
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
cassis pentanone
FL/FR
dimethyl sulfide
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
2-
phenethyl isothiocyanate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
iso
butyl mercaptan
FL
diethyl trisulfide
FL
ethyl isothiocyanate
FL
3-
hydroxypyruvic acid
FL
methyl isothiocyanate
FL
4-
methyl thiobutyl isothiocyanate
FL
6-
methyl thiohexyl isothiocyanate
FL
5-
methyl thiopentyl isothiocyanate
FL
4-
pentenyl isothiocyanate
FL
2-
phenethyl isothiocyanate
FL/FR
acetic
acetic
formic acid
FL
alliaceous
benzyl mercaptan
FL
cyclopentyl mercaptan
FL
3-
mercapto-2-pentanone
FL
2-
methyl thioacetaldehyde
FL
white
mustard seed oil
FL
iso
propyl isothiocyanate
FL
truffle sulfide
FL
burnt
methyl phenyl disulfide
FL
2,4,5-
trimethyl oxazole
FL/FR
estery
furfuryl acetate
FL/FR
green
cassis pentanone
FL/FR
cocoa butenal
FL/FR
dibutyl sulfide
FL/FR
2-
furyl acetone
FL
hexyl (E)-tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
1-
penten-3-ol
FL/FR
2-
phenyl-2-pentenal
FL/FR
meaty
2-
methyl 3-(methyl thio) furan
FL
mustard
allyl isothiocyanate
FL
musty
2-
methyl 5-(methyl thio) furan
FL/FR
shoyu pyrazine
FL/FR
onion
methyl propyl disulfide
FL
spicy
benzyl isothiocyanate
FL
ethyl vinyl ketone
FL/FR
mustard seed oleoresin
FL
sulfurous
allyl sulfide
FL
dimethyl sulfide
FL/FR
furfuryl methyl sulfide
FL
1-(
methyl thio)-2-butanone
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
2-
octen-4-one
FL/FR
radish isothiocyanate
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 cognac
Search PMC Picture
 garlic bulb
Search Trop Picture
 garlic oil
Search Trop Picture
 
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
 
 
Notes:
Present in garlic (Allium sativum) Allyl alcohol 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 used as a precursor to many specialized compounds. Allyl alcohol is the smallest representative of the allylic alcohols. (Wikipedia)
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