3'-hydroxyisosafrole
2-propen-1-ol, 3-(3,4-(methylenedioxy)phenyl)- (8CI)
 
Notes:
None found
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CAS Number: 17581-86-1Picture of molecule3D/inchi
Nikkaji Web: J697.080J
XlogP3: 1.90 (est)
Molecular Weight: 178.18730000
Formula: C10 H10 O3
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: toxic natural substances
 
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
Boiling Point: 340.00 °C. @ 760.00 mm Hg (est)
Flash Point: 319.00 °F. TCC ( 159.40 °C. ) (est)
logP (o/w): 1.820 (est)
Soluble in:
 water, 4297 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: toxic natural substances
Recommendation for 3'-hydroxyisosafrole usage levels up to:
 not for fragrance use.
 
Recommendation for 3'-hydroxyisosafrole flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Cancer Citations: Search
Toxicology Citations: Search
EPA GENetic TOXicology: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5869753
National Institute of Allergy and Infectious Diseases: Data
 (E)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-ol
Chemidplus: 0017581861
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References:
 (E)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5869753
Pubchem (sid): 135054367
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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
CHEMBL: View
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:
3-(1,3-benzodioxol-5-yl)-2-propen-1-ol
(E)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-ol
 dioxymethylene cinnamyl alcohol
3-(3,4-(methylene dioxy)phenyl)-2-propen-1-ol
3,4-methylene dioxycinnamyl alcohol
3-(3,4-(methylenedioxy)phenyl)-2-propen-1-ol
3,4-methylenedioxycinnamyl alcohol
2-propen-1-ol, 3-(3,4-(methylenedioxy)phenyl)-
2-propen-1-ol, 3-(3,4-(methylenedioxy)phenyl)- (8CI)
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Articles:
PubMed: The metabolic sulfonation and side-chain oxidation of 3'-hydroxyisosafrole in the mouse and its inactivity as a hepatocarcinogen relative to 1'-hydroxysafrole.
PubMed: Metabolism of the proximate carcinogen 1'-hydroxysafrole and the isomer 3'-hydroxyisosafrole.
PubMed: Absorption, metabolism and excretion of safrole in the rat and man.
PubMed: The metabolic activation of the carcinogen 1'-hydroxysafrole in vivo and in vitro and the electrophilic reactivities of possible ultimate carcinogens.
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