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petasol
2(3H)-naphthalenone, 4,4a,5,6,7,8-hexahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (3S-(3alpha,4abeta,5beta,6alpha))-

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Name:(3S,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CAS Number: 64236-38-0Picture of molecule3D/inchi
Other(deleted CASRN):69688-72-8
FDA UNII: P6AF873M8W
XlogP3-AA:2.80 (est)
Molecular Weight:234.33874000
Formula:C15 H22 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 364.05 °C. @ 760.00 mm Hg (est)
Flash Point: 312.00 °F. TCC ( 155.30 °C. ) (est)
logP (o/w): 2.394 (est)
Soluble in:
 water, 129.9 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Glentham Life Sciences
Petasol
 
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
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for petasol usage levels up to:
 not for fragrance use.
 
Recommendation for petasol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5275907
National Institute of Allergy and Infectious Diseases:Data
(3S,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Chemidplus:0064236380
 
References:
 (3S,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5275907
Pubchem (sid):135193497
 
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
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
(3S-(3alpha,4abeta,5beta,6alpha))-4,4a,5,6,7,8-hexahydro-6-hydroxy-4a,5-dimethyl-3-(1-methyl ethenyl)-2(3H)-naphthalenone
(3S,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
2(3H)-naphthalenone, 4,4a,5,6,7,8-hexahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (3S-(3alpha,4abeta,5beta,6alpha))-
 sencathenone
 
 
Notes:
None found
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