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

thujopsene
cyclopropa(d)naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)-

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Name:(1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene
CAS Number: 470-40-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:207-426-8
FDA UNII:E116U47P7N
Nikkaji Web:J34.327G
Beilstein Number:1907465
MDL:MFCD00042960
XlogP3-AA:4.80 (est)
Molecular Weight:204.35628000
Formula:C15 H24
BioActivity Summary:listing
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:pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 256.00 to 258.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.025000 mmHg @ 25.00 °C. (est)
Flash Point: 222.00 °F. TCC ( 105.56 °C. )
logP (o/w): 6.053 (est)
Soluble in:
 alcohol
 water, 0.07152 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.
(-)-THUJOPSEN 95%
Ernesto Ventós
THUJOPSENE 70 (EX CEDARWOOD TEXAS)
Odor: WOODY, PERSISTENT
Indukern F&F
THUJOPSENE NATURAL
Santa Cruz Biotechnology
For experimental / research use only.
(-)-Thujopsene ≥97%
Sigma-Aldrich: Aldrich
For experimental / research use only.
(-)-Thujopsene purum, ≥97.0% (GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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 thujopsene usage levels up to:
 not for fragrance use.
 
Recommendation for thujopsene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):470-40-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :442402
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene
Chemidplus:0000470406
 
References:
 (1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:470-40-6
Pubchem (cid):442402
Pubchem (sid):135054335
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
CHEBI:View
KEGG (GenomeNet):C09740
HMDB (The Human Metabolome Database):Search
FooDB:FDB005932
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
 angelica seed oil CO2 extract @ 0.60%
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 cajuput oil vietnam @ trace%
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 cascarilla bark oil @ 0.23%
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 cedarwood oil
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 cedarwood oil atlanta @ 31.70%
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 cedarwood oil china @ 29.90%
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 cedarwood oil texas @ 25.00%
Data GC Search Trop Picture
 cedarwood oil virginia @ 21.30%
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 featherfew leaf oil @ 0.10%
Data GC Search Trop Picture
 hibawood oil
Search Trop Picture
 juniper branch oil @ 25.30%
Data GC Search Trop Picture
 lovage root
Search Trop Picture
 verbena oil france @ 0.20%
Data GC Search Trop Picture
 
Synonyms:
sesquichamene
 cyclopropa(d)naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)-
(1aS-(1aalpha, 4abeta,8ar*))- 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl cyclopropa(d)naphthalene
(1aS,4aS,8aS)- 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl cyclopropa(d)naphthalene
(1S,6S,10S)- 2,2,6,9-tetramethyl tricyclo(8.1.0.01.6)undec-8-ene
(1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene
(1S,6S,10S)-2,2,6,9-tetramethyltricyclo[8.1.0.01.6]undec-8-ene
(-)-thujopsen
(-)-thujopsene
cis-thujopsene
 thujopsene, (-)-
 widdrene
(-)-widdrene
 

Articles:

PubMed:Branching out from the bisabolyl cation. Unifying mechanistic pathways to barbatene, bazzanene, chamigrene, chamipinene, cumacrene, cuprenene, dunniene, isobazzanene, iso-γ-bisabolene, isochamigrene, laurene, microbiotene, sesquithujene, sesquisabinene, thujopsene, trichodiene, and widdradiene sesquiterpenes.
PubMed:Mast cell stabilizing effect of (-)-Elema-1,3,11(13)-trien-12-ol and thujopsene from Thujopsis dolabrata is mediated by down-regulation of interleukin-4 secretion in antigen-induced RBL-2H3 cells.
PubMed:Application of the essential oil from copaiba (Copaifera langsdori Desf.) for acne vulgaris: a double-blind, placebo-controlled clinical trial.
PubMed:In vitro Na+/K+-ATPase inhibitory activity and antimicrobial activity of sesquiterpenes isolated from Thujopsis dolabrata.
PubMed:Autoregulatory properties of (+)-thujopsene and influence of environmental conditions on its production by Penicillium decumbens.
PubMed:Phylogenetic relationships of the genus Chamaecyparis inferred from leaf essential oil.
PubMed:Persistency assessment and aerobic biodegradation of selected cyclic sesquiterpenes present in essential oils.
PubMed:Chemical investigations of essential oils from endemic Cupressaceae trees from New Caledonia.
PubMed:Determination of radix ginseng volatile oils at different ages by comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry.
PubMed:Antimicrobial activity of extractable conifer heartwood compounds toward Phytophthora ramorum.
PubMed:Gastric antiulcer and anti-inflammatory activities of the essential oil from Casearia sylvestris Sw.
PubMed:Surrogate splicing for functional analysis of sesquiterpene synthase genes.
PubMed:[Constituent analysis of the essential oil in leaves of Torreya nucifera].
PubMed:The chemical composition of Microbiota decussata.
PubMed:Volatile metabolites produced by three strains of Stachybotrys chartarum cultivated on rice and gypsum board.
PubMed:An enantiospecific approach to tricyclic sesquiterpenes mayurone and thujopsenes.
PubMed:Determination of selected microbial volatile organic compounds by diffusive sampling and dual-column capillary GC-FID--a new feasible approach for the detection of an exposure to indoor mould fungi?
PubMed:Evaluation of vetiver oil and seven insect-active essential oils against the Formosan subterranean termite.
PubMed:Biotransformation of thujopsene by Caragana chamlagu.
PubMed:Antignawing factor of crude oil derived fromThujopsis dolabrata S. et Z. var.hondai sawdust against mice.
 
Notes:
None found
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