1'-acetoxyestragole
p-methoxy-alpha-vinylbenzyl alcohol acetate (ester)
 
Notes:
None found
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CAS Number: 61691-82-5Picture of molecule3D/inchi
Nikkaji Web: J66.017E
XlogP3-AA: 2.40 (est)
Molecular Weight: 206.24118000
Formula: C12 H14 O3
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 126.8 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: information only not used for fragrances or flavors
Recommendation for 1'-acetoxyestragole usage levels up to:
 not for fragrance use.
 
Recommendation for 1'-acetoxyestragole flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
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EPA GENetic TOXicology: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 43715
National Institute of Allergy and Infectious Diseases: Data
 1-(4-methoxyphenyl)prop-2-enyl acetate
Chemidplus: 0061691825
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References:
 1-(4-methoxyphenyl)prop-2-enyl acetate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 43715
Pubchem (cas): 61691-82-5
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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
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
 not found in nature
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Synonyms:
 benzenemethanol, alpha-ethenyl-4-methoxy-, acetate (9CI)
 benzyl alcohol, p-methoxy-alpha-vinyl-, acetate (ester)
alpha-ethenyl-4-methoxybenzene methanol acetate
para-methoxy-alpha-vinyl benzyl alcohol acetate
p-methoxy-alpha-vinylbenzyl alcohol acetate (ester)
1-(4-methoxyphenyl)prop-2-enyl acetate
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Articles:
PubMed: Hepatocarcinogenicity of estragole (1-allyl-4-methoxybenzene) and 1'-hydroxyestragole in the mouse and mutagenicity of 1'-acetoxyestragole in bacteria
PubMed: Repair replication characteristics of human cells exposed to 1'-acetoxysafrole or 1'-acetoxyestragole
PubMed: Alkali-sensitive sites in DNA from human cells treated with ultraviolet light, 1'-acetoxysafrole or 1'-acetoxyestragole
PubMed: Further characterization of the DNA adducts formed by electrophilic esters of the hepatocarcinogens 1'-hydroxysafrole and 1'-hydroxyestragole in vitro and in mouse liver in vivo, including new adducts at C-8 and
PubMed: Basil extract inhibits the sulfotransferase mediated formation of DNA adducts of the procarcinogen 1'-hydroxyestragole by rat and human liver S9 homogenates and in HepG2 human hepatoma cells
PubMed: Structure-activity studies of the hepatocarcinogenicities of alkenylbenzene derivatives related to estragole and safrole on administration to preweanling male C57BL/6J x C3H/HeJ F1 mice
PubMed: Estimation of apurinic/apyrimidinic sites and phosphotriesters in deoxyribonucleic acid treated with electrophilic carcinogens and mutagens
PubMed: Identification of nevadensin as an important herb-based constituent inhibiting estragole bioactivation and physiology-based biokinetic modeling of its possible in vivo effect
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