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(1S,3S)-(E)-4-carene
(1S,3S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-4-ene

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Name:(1S,3S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-4-ene
CAS Number: 5208-50-4Picture of molecule3D/inchi
FDA UNII: Data 5VQ84P9UNH
Nikkaji Web:J109.973F
XlogP3-AA:3.30 (est)
Molecular Weight:136.23752000
Formula:C10 H16
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
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 85.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 154.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:4.165000 mmHg @ 25.00 °C. (est)
Flash Point: 101.00 °F. TCC ( 38.00 °C. )
logP (o/w): 4.274 (est)
Soluble in:
 alcohol
 water, 3.756 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.
(1R,4S)-4,7,7-Trimethylbicyclo[4.1.0]hept-2-ene
Santa Cruz Biotechnology
For experimental / research use only.
(1S,3S)-trans-4-Carene
Sigma-Aldrich: Aldrich
For experimental / research use only.
(1S,3S)-trans-4-Carene technical, ≥85% (sum of enantiomers, GC)
 
Safety Information:
Preferred SDS: View
 
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 (1S,3S)-(E)-4-carene usage levels up to:
 not for fragrance use.
 
Recommendation for (1S,3S)-(E)-4-carene 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 :16211587
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2319
WGK Germany:3
(1S,3S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-4-ene
Chemidplus:0005208504
 
References:
 (1S,3S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-4-ene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):16211587
Pubchem (sid):57647958
 
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
CHEBI:View
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
(1S,3S)-trans-4-carene
(1S,3S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-4-ene
 
 
Notes:
None found
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