1'-hydroxymethyl eugenol
veratryl alcohol, a-vinyl- (6CI,8CI)
 
Notes:
None found
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CAS Number: 31706-95-3Picture of molecule3D/inchi
FDA UNII: DA6575YC8S
Nikkaji Web: J529.684F
MDL: MFCD00871518
XlogP3: 1.50 (est)
Molecular Weight: 194.23018000
Formula: C11 H14 O3
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 306.20 °C. @ 760.00 mm Hg (est)
Flash Point: 282.00 °F. TCC ( 139.00 °C. ) (est)
logP (o/w): 1.480 (est)
Soluble in:
 water, 8044 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for 1'-hydroxymethyl eugenol usage levels up to:
 not for fragrance use.
 
Recommendation for 1'-hydroxymethyl eugenol flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
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Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 198104
National Institute of Allergy and Infectious Diseases: Data
 1-(3,4-dimethoxyphenyl)prop-2-en-1-ol
Chemidplus: 0031706953
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References:
 1-(3,4-dimethoxyphenyl)prop-2-en-1-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 198104
Pubchem (sid): 135174492
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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
HMDB (The Human Metabolome Database): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
 benzenemethanol, a-ethenyl-3,4-dimethoxy-
 benzenemethanol, alpha-ethenyl-3,4-dimethoxy-
1-(3,4-dimethoxyphenyl)-2-propen-1-ol
1-(3,4-dimethoxyphenyl)prop-2-en-1-ol
alpha-ethenyl-3,4-dimethoxybenzene methanol
alpha-ethenyl-3,4-dimethoxybenzenemethanol
1'-hydroxymethyleugenol
 veratryl alcohol, a-vinyl- (6CI,8CI)
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Articles:
PubMed: Formation of hepatic DNA adducts by methyleugenol in mouse models: drastic decrease by Sult1a1 knockout and strong increase by transgenic human SULT1A1/2.
PubMed: Inhibition of methyleugenol bioactivation by the herb-based constituent nevadensin and prediction of possible in vivo consequences using physiologically based kinetic modeling.
PubMed: Metabolism of methyleugenol in liver microsomes and primary hepatocytes: pattern of metabolites, cytotoxicity, and DNA-adduct formation.
PubMed: Physiologically based kinetic modeling of bioactivation and detoxification of the alkenylbenzene methyleugenol in human as compared with rat.
PubMed: Identification of human and murine sulfotransferases able to activate hydroxylated metabolites of methyleugenol to mutagens in Salmonella typhimurium and detection of associated DNA adducts using UPLC-MS/MS methods.
PubMed: Genotoxic potential of methyleugenol and selected methyleugenol metabolites in cultured Chinese hamster V79 cells.
PubMed: Scavenger Activity Evaluation of the Clove Bud Essential Oil (Eugenia caryophyllus) and Eugenol Derivatives Employing ABTS Decolorization.
PubMed: Metabolism of methylisoeugenol in liver microsomes of human, rat, and bovine origin.
PubMed: Physiologically based biokinetic model of bioactivation and detoxification of the alkenylbenzene methyleugenol in rat.
PubMed: Human cytochrome p450 enzymes of importance for the bioactivation of methyleugenol to the proximate carcinogen 1'-hydroxymethyleugenol.
PubMed: Cytochrome P450 mediated bioactivation of methyleugenol to 1'-hydroxymethyleugenol in Fischer 344 rat and human liver microsomes.
PubMed: Immunochemical detection of covalently modified protein adducts in livers of rats treated with methyleugenol.
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