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widdrol
1H-benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a,7-tetramethyl-, (4aS-cis)-

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Name:(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol
CAS Number: 6892-80-4Picture of molecule3D/inchi
Nikkaji Web:J15.581K
XlogP3-AA:4.10 (est)
Molecular Weight:222.37142000
Formula:C15 H26 O
NMR Predictor:Predict (works with chrome 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:
Appearance:colorless solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 98.00 °C. @ 760.00 mm Hg
Boiling Point: 303.00 to 304.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000088 mmHg @ 25.00 °C. (est)
Flash Point: 263.00 °F. TCC ( 128.33 °C. )
logP (o/w): 4.593 (est)
Soluble in:
 alcohol
 water, 7.927 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol 95%
 
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 widdrol usage levels up to:
 not for fragrance use.
 
Recommendation for widdrol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :94334
National Institute of Allergy and Infectious Diseases:Data
(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol
Chemidplus:0006892804
 
References:
 (7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):94334
Pubchem (sid):135051284
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
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 mikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.10%
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Synonyms:
1H-benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a,7-tetramethyl-, (4aS-cis)-
1H-benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a,7-tetramethyl-, cis-
1H-benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4aa,7b-tetramethyl-
(4aS-cis)-2,3,4,4a,5,6,7,8-octahydro-1,1,4a,7-tetramethyl-1H-benzocyclohepten-7-ol
(Z)-2,3,4,4alpha,5,6,7,8-octahydro-1,1,4alpha,7-tetramethyl-1H-benzo(7)annulen-7-ol
(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol
 

Articles:

PubMed:Widdrol blocks 3T3-L1 preadipocytes growth and differentiation due to inhibition of mitotic clonal expansion.
PubMed:Widdrol induces apoptosis via activation of AMP-activated protein kinase in colon cancer cells.
PubMed:Widdrol activates DNA damage checkpoint through the signaling Chk2-p53-Cdc25A-p21-MCM4 pathway in HT29 cells.
PubMed:Widdrol induces cell cycle arrest, associated with MCM down-regulation, in human colon adenocarcinoma cells.
PubMed:Sesquiterpenes from the wood of Juniperus lucayana.
PubMed:The antifungal activity of widdrol and its biotransformation by Colletotrichum gloeosporioides (penz.) Penz. & Sacc. and Botrytis cinerea Pers.: Fr.
PubMed:Exploration of fundamental and synthetic aspects of the intramolecular 4 + 3 cycloaddition reaction.
PubMed:Schistosoma mansoni: cercaricidal effects of cedarwood oil and various of its components.
PubMed:Configuration of widdrol.
 
Notes:
None found
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