allyl alcohol
prop-2-en-1-ol
 
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)
  • Advanced Biotech
    • Advanced Biotech. Inc.
      Inspired by Nature
      A diverse range of products, all meeting our stringent commitment to quality.
      Advanced Biotech is a leading manufacturer and supplier of high-quality Natural flavoring ingredients & botanical extracts for the food/beverage, cosmetic and personal care industries. With over 25 years of experience working with Fermentation processing & botanical extracts, we can help develop new innovative and functional products for today’s competitive marketplace. Our company prides itself in the ability to cater to our customer’s specific needs while maintaining our focus on integrity, honesty and the commitment to high quality product standards. We proudly offer our quality Natural ingredients to companies around the world.
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      Product(s):
      1488 ALLYL ALCOHOL NATURAL
      SDS
       
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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:
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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 mmHg @ 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
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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).
 
 
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Cosmetic Information:
None found
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Suppliers:
Advanced Biotech
ALLYL ALCOHOL NATURAL
Indenta Group
Allyl Alcohol
LyondellBasell Industries
Allyl Alcohol
Sigma-Aldrich: Aldrich
For experimental / research use only.
Allyl alcohol ≥99%
Tengzhou Xiang Yuan Aroma Chemicals
Allyl Alcohol
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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.

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Safety in Use Information:
Category: flavoring agents
Recommendation for allyl alcohol usage levels up to:
 not for fragrance use.
 
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Safety References:
EPI System: View
EPA-Iris: IRIS
NIOSH International Chemical Safety Cards: search
NIOSH Pocket Guide: search
Chemical Carcinogenesis Research Information System: Search
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
Carcinogenic Potency Database: 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
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References:
 prop-2-en-1-ol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 107-18-6
Pubchem (cid): 7858
Pubchem (sid): 134972258
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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
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Potential Blenders and core components note
 
For Odor
alliaceous
 dibutyl sulfideFL/FR
floral
2-phenyl-2-pentenalFL/FR
fruity
 furfuryl acetateFL/FR
 hexyl (E)-tiglateFL/FR
green
(Z)-leaf acetalFL/FR
1-penten-3-olFL/FR
musty
 cocoa butenalFL/FR
nutty
 shoyu pyrazineFL/FR
2,4,5-trimethyl oxazoleFL/FR
spicy
 ethyl vinyl ketoneFL/FR
 cassis pentanoneFL/FR
 dimethyl sulfideFL/FR
 methyl 3-(methyl thio) propionateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
2-phenethyl isothiocyanateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
isobutyl mercaptanFL
 diethyl trisulfideFL
 ethyl isothiocyanateFL
3-hydroxypyruvic acidFL
 methyl isothiocyanateFL
4-methyl thiobutyl isothiocyanateFL
6-methyl thiohexyl isothiocyanateFL
5-methyl thiopentyl isothiocyanateFL
4-pentenyl isothiocyanateFL
2-phenethyl isothiocyanateFL/FR
acetic
 formic acidFL
alliaceous
 benzyl mercaptanFL
 cyclopentyl mercaptanFL
3-mercapto-2-pentanoneFL
2-methyl thioacetaldehydeFL
white mustard seed oilFL
isopropyl isothiocyanateFL
 truffle sulfideFL
burnt
 methyl phenyl disulfideFL
2,4,5-trimethyl oxazoleFL/FR
estery
 furfuryl acetateFL/FR
green
 cassis pentanoneFL/FR
 cocoa butenalFL/FR
 dibutyl sulfideFL/FR
2-furyl acetoneFL
 hexyl (E)-tiglateFL/FR
(Z)-leaf acetalFL/FR
1-penten-3-olFL/FR
2-phenyl-2-pentenalFL/FR
meaty
2-methyl 3-(methyl thio) furanFL
mustard
 allyl isothiocyanateFL
musty
2-methyl 5-(methyl thio) furanFL/FR
 shoyu pyrazineFL/FR
onion
 methyl propyl disulfideFL
spicy
 benzyl isothiocyanateFL
 ethyl vinyl ketoneFL/FR
 mustard seed oleoresinFL
sulfurous
 allyl sulfideFL
 dimethyl sulfideFL/FR
 furfuryl methyl sulfideFL
1-(methyl thio)-2-butanoneFL
vegetable
 methyl 3-(methyl thio) propionateFL/FR
2-octen-4-oneFL/FR
 radish isothiocyanateFL
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 cognac
Search  PMC Picture
 garlic bulb
Search Trop  Picture
 garlic oil
Search Trop  Picture
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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
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Articles:
PubMed: Enhancement of allyl alcohol hepatotoxicity by endotoxin requires extrahepatic factors
PubMed: Short-term toxicity of allyl alcohol in rats
PubMed: 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
PubMed: Neutrophils contribute to endotoxin enhancement of allyl alcohol hepatotoxicity
PubMed: A General Asymmetric Synthesis of (R)-Matsutakeol and Flavored Analogs
PubMed: Synergistic antiyeast activity of garlic oil and allyl alcohol derived from alliin in garlic
PubMed: 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?
PubMed: Allyl isothiocyanate is mutagenic in Salmonella typhimurium
PubMed: Tissue repair plays pivotal role in final outcome of liver injury following chloroform and allyl alcohol binary mixture
PubMed: In-situ modification, regeneration, and application of keratin biopolymer for arsenic removal
PubMed: Synthesis of allyl esters of fatty acids and their ovicidal effect on Cydia pomonella (L.)
PubMed: Survival and proliferation of alginate encapsulated Trichoderma spp. in Egyptian soil in comparison with allyl alcohol soil fumigation
PubMed: Improving isopropanol tolerance and production of Clostridium beijerinckii DSM 6423 by random mutagenesis and genome shuffling
PubMed: ENDOR characterization of an iron-alkene complex provides insight into a corresponding organometallic intermediate of nitrogenase
PubMed: Liver regeneration: a critical toxicodynamic response in predictive toxicology
PubMed: 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
PubMed: Genomic indicators in the blood predict drug-induced liver injury
PubMed: Production of Acetaldehyde by Zymomonas mobilis
PubMed: Allyl alcohol as a nutrient for micro-organisms
PubMed: Allium chemistry: synthesis, natural occurrence, biological activity, and chemistry of Se-alk(en)ylselenocysteines and their gamma-glutamyl derivatives and oxidation products
PubMed: Coupling reactions of catechins with natural aldehydes and allyl alcohols and radical scavenging activities of the triglyceride-soluble products
PubMed: [Screening of a low alcohol dehydrogenase activity mutant of rhizopus oryzae and the regulation of Zn2+ and Mg2+]
PubMed: Limited infection without evidence of replication by porcine endogenous retrovirus in guinea pigs
PubMed: Identification of allyl esters in garlic cheese
PubMed: Enantioselective epoxidation with chiral MN(III)(salen) catalysts: kinetic resolution of aryl-substituted allylic alcohols
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