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

(+)-cuparene
(R)-(+)-p-(1,2,2-trimethylcyclopentyl)toluene

Supplier Sponsors

CAS Number: 16982-00-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:241-061-5
FDA UNII: 24IR5X2B93
Nikkaji Web:J14.929B
Beilstein Number:2326949
MDL:MFCD00043118
XlogP3-AA:5.50 (est)
Molecular Weight:202.34034000
Formula:C15 H22
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:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.93700 @ 20.00 °C.
Refractive Index:1.52300 @ 20.00 °C.
Boiling Point: 267.00 to 269.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.012000 mmHg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 6.210
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 water, 0.2199 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.
(+)-CUPARENE 95%
ExtraSynthese
For experimental / research use only.
(+)-Cuparene
Santa Cruz Biotechnology
For experimental / research use only.
(+)-Cuparene
Sigma-Aldrich: Aldrich
For experimental / research use only.
(+)-Cuparene , puriss., ≥99.0%
sds
(sum of enantiomers, GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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 (+)-cuparene usage levels up to:
 not for fragrance use.
 
Recommendation for (+)-cuparene 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 :86895
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene
Chemidplus:0016982006
 
References:
 1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:16982-00-6
Pubchem (cid):86895
Pubchem (sid):135044623
Pherobase:View
 
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):Search
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
 angelica root oil @ 0.03%
Data GC Search Trop Picture
 angelica seed oil CO2 extract @ trace%
Data GC Search Trop Picture
 cedarwood oil atlanta @ 3.50%
Data GC Search Trop Picture
 cedarwood oil china @ 3.40%
Data GC Search Trop Picture
 cedarwood oil texas @ 1.70%
Data GC Search Trop Picture
 cedarwood oil virginia @ 1.60%
Data GC Search Trop Picture
 ferula cupularis stem oil @ 0.49%
Data GC Search Trop Picture
 juniper branch oil @ 5.20%
Data GC Search Trop Picture
 lemon verbena oil morocco @ trace%
Data GC Search Trop Picture
 mayur pankh fruit oil himalaya @ 1.20%
Data GC Search Trop Picture
 phlomis fruticosa l. flower oil greece @ 0.30%
Data GC Search Trop Picture
 
Synonyms:
1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene
(R)-1-(para-tolyl)-1,2,2-trimethyl cyclopentane
(R)-1-(p-tolyl)-1,2,2-trimethylcyclopentane
(R)-(+)-para-(1,2,2-trimethyl cyclopentyl) toluene
(R)-(+)-p-(1,2,2-trimethylcyclopentyl)toluene
 widdrene II
 

Articles:

PubMed:Chemical composition, antimicrobial and antitumor activities of the essential oils and crude extracts of Euphorbia macrorrhiza.
PubMed:Essential oils of Cupressus funebris, Juniperus communis, and J. chinensis (Cupressaceae) as repellents against ticks (Acari: Ixodidae) and mosquitoes (Diptera: Culicidae) and as toxicants against mosquitoes.
PubMed:Terpenoid compositions and antioxidant activities of two Indian valerian oils from the Khasi Hills of north-east India.
PubMed:Biosynthesis of sesquiterpenes by the fungus Fusarium verticillioides.
PubMed:Volatile terpenoids of endophyte-free and infected peppermint (Mentha piperita L.): chemical partitioning of a symbiosis.
PubMed:Anti-inflammatory activity of extracts from Conyza canadensis.
PubMed:Antibacterial and antioxidant activities and chemical compositions of volatile oils extracted from Schisandra chinensis Baill. seeds using simultaneous distillation extraction method, and comparison with Soxhlet and microwave-assisted extraction.
PubMed:Use of P450 cytochrome inhibitors in studies of enokipodin biosynthesis.
PubMed:Phytochemical analysis and cytotoxicity towards multidrug-resistant leukemia cells of essential oils derived from Lebanese medicinal plants.
PubMed:Terpenoid compositions and antioxidant activities of two Indian valerian oils from the Khasi Hills of north-east India.
PubMed:Volatile terpenoids of endophyte-free and infected peppermint (Mentha piperita L.): chemical partitioning of a symbiosis.
PubMed:Enantioselective total synthesis of enokipodins A-D, antimicrobial sesquiterpenes produced by the mushroom, Flammulina velutipes.
PubMed:Photomediated asymmetric synthesis of (-)-cuparene.
PubMed:Antimicrobial cuparene-type sesquiterpenes, enokipodins C and D, from a mycelial culture of Flammulina velutipes.
PubMed:Use of aromatic radical-anions in the absence of THF. Tandem formation and cyclization of benzyllithiums derived from the attack of homo- and bishomoallyllithiums on alpha-methylstyrenes: two-pot synthesis of cuparene.
 
Notes:
None found
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