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4,7-methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-

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CAS Number: 514-51-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-182-5
FDA UNII: Search
XlogP3-AA:4.30 (est)
Molecular Weight:204.35628000
Formula:C15 H24
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:fragrance agents
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 260.00 to 262.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.020000 mmHg @ 25.00 °C. (est)
Flash Point: 211.00 °F. TCC ( 99.44 °C. )
logP (o/w): 6.129 (est)
Soluble in:
 water, 0.1165 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
BOC Sciences
For experimental / research use only.
For experimental / research use only.
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
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:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for beta-patchoulene flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):514-51-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :101731
National Institute of Allergy and Infectious Diseases:Data
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:514-51-2
Pubchem (cid):101731
Pubchem (sid):135059463
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):HMDB36736
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
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 basil leaf oil sweet (ocimum basilicum) @ 0.90%
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 guaiacwood oil
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 patchouli oil @ 13.75%
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 patchouli oil china @ 6.91%
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 spikenard oil @ 0.70%
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 tagete oil CO2 extract @ 0.10%
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 tagete oil egypt @ 0.37%
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4,7-methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-
(1S-(1alpha,4alpha,7alpha))- 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene
(1S,4R,7R)- 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene
 octahydrotetramethyl methanoazulene


PubMed:Antioxidant activity of essential oil and extracts of Valeriana jatamansi roots.
PubMed:Activation and silencing of secondary metabolites in Streptomyces albus and Streptomyces lividans after transformation with cosmids containing the thienamycin gene cluster from Streptomyces cattleya.
PubMed:Antitumor effect of the essential oil from leaves of Guatteria pogonopus (Annonaceae).
PubMed:Solid-phase microextraction (SPME) analysis of six Italian populations of Ephedra nebrodensis Tineo ex Guss. subsp. nebrodensis.
PubMed:Doubly deuterium-labeled patchouli alcohol from cyclization of singly labeled [2-(2)H(1)]farnesyl diphosphate catalyzed by recombinant patchoulol synthase.
PubMed:GC-MS fingerprint of Pogostemon cablin in China.
PubMed:[Constituents analysis on volatile oil of Pogostemon cablin from different collection time cultivated in Hainan].
PubMed:Monitoring and fast detection of mycotoxin-producing fungi based on headspace solid-phase microextraction and headspace sorptive extraction of the volatile metabolites.
PubMed:Volatile sesquiterpene hydrocarbons characteristic for Penicillium roqueforti strains producing PR toxin.
PubMed:Essential oil analysis of Eusteralis deccanensis Panigrahi (Lamiaceae).
PubMed:Purification and characterization of the sesquiterpene cyclase patchoulol synthase from Pogostemon cablin.
PubMed:[Patchouli alcohol and beta patchoulene from Nardostachys chinensis].
Constit. of guaiac wood oil (Bulnesia sarmienti)
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