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

pinane (mixture of isomers)
bicyclo[3.1.1]heptane, 2,6,6-trimethyl-

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Name:2,6,6-trimethylbicyclo[3.1.1]heptane
CAS Number: 473-55-2Picture of molecule3D/inchi
Other(deleted CASRN):3092-29-3
ECHA EINECS - REACH Pre-Reg:207-467-1
FDA UNII: 140V20YT81
Nikkaji Web:J9.284C
Beilstein Number:5237941
MDL:MFCD00078047
XlogP3-AA:3.90 (est)
Molecular Weight:138.25346000
Formula:C10 H18
BioActivity Summary:listing
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
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 92.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 151.00 °C. @ 760.00 mm Hg
Vapor Pressure:5.160000 mmHg (est)
Flash Point: 97.00 °F. TCC ( 36.00 °C. ) (est)
logP (o/w): 4.686 (est)
Soluble in:
 alcohol
 water, 4.731 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
IFF
Pinane
Odor Description:Diffusive pine
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Alfa Biotechnology
For experimental / research use only.
Pinane 99%
BOC Sciences
For experimental / research use only.
Pinane 95%
IFF
Pinane
Odor: Diffusive pine
Reincke & Fichtner
1a,2b,5a-2,6,6,-Trimethylbicyclo(3.1.1)heptane
Santa Cruz Biotechnology
For experimental / research use only.
Pinane, endo + exo
Sigma-Aldrich
For experimental / research use only.
Pinane purum, mixture of isomers, ≥98.0% (GC)
 
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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for pinane (mixture of isomers) flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):473-55-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10129
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2,6,6-trimethylbicyclo[3.1.1]heptane
Chemidplus:0000473552
EPA/NOAA CAMEO:hazardous materials
 
References:
 2,6,6-trimethylbicyclo[3.1.1]heptane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:473-55-2
Pubchem (cid):10129
Pubchem (sid):134975676
 
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
CHEMBL: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
 elaeoselinum asclepium var. meoides
Search Trop Picture
 
Synonyms:
 bicyclo[3.1.1]heptane, 2,6,6-trimethyl-
 dihydropinene
 pinane (mixture of isomers)
2,6,6-trimethyl bicyclo(3.1.1)heptane
 trimethyl bicycloheptane
2,6,6-trimethyl-bicyclo[3.1.1]heptane
2,6,6-trimethylbicyclo(3.1.1)heptane
2,6,6-trimethylbicyclo[3.1.1]heptane
 
 
Notes:
None found
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