EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

beta-patchoulene
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
XlogP3-AA:4.30 (est)
Molecular Weight:204.35628000
Formula:C15 H24
NMR Predictor:Predict (works with chrome 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
PubMed:Search
NCBI: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:
 alcohol
 water, 0.1165 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
beta-Patchoulene
Carbosynth
For experimental / research use only.
b-Patchoulene
 
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: fragrance agents
 
Recommendation for beta-patchoulene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
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
Chemidplus:0000514512
 
References:
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:514-51-2
Pubchem (cid):101731
Pubchem (sid):135059463
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
HMDB (The Human Metabolome Database):HMDB36736
FooDB:FDB015673
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 basil flower oil sweet @ 0.79%
Data GC Search Trop Picture
 basil leaf oil sweet (ocimum basilicum) @ 0.90%
Data GC Search Trop Picture
 guaiacwood oil
Search Trop Picture
 patchouli oil @ 13.75%
Data GC Search Trop Picture
 patchouli oil china @ 6.91%
Data GC Search Trop Picture
 spikenard oil @ 0.70%
Data GC Search Trop Picture
 tagete oil CO2 extract @ 0.10%
Data GC Search Trop Picture
 tagete oil egypt @ 0.37%
Data GC Search Trop Picture
 
Synonyms:
 azulene,1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-4,7-methano-
4,7-methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-
(1S-(1a,4a,7a))-1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene
(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
(-)-beta-patchoulene
b-patchoulene
beta-patchoulene
1,4,9,9-tetramethyl-1,2,3,4,5,6,7,8-octahydro-4,7-methanoazulene
 

Articles:

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].
 
Notes:
Constit. of guaiac wood oil (Bulnesia sarmienti)
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