trimethyl cyclohexene
cyclohexene, 1,2,3-trimethyl-

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Name: 1,2,3-trimethylcyclohexene
CAS Number: 68555-95-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 271-464-1
Nikkaji Web: J11.592D
XlogP3-AA: 3.00 (est)
Molecular Weight: 124.22652000
Formula: C9 H16
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.78500 to 0.79500 25.00 °C.
Pounds per Gallon - (est).: 6.532 to 6.615
Refractive Index: 1.43000 to 1.44500 @ 20.00 °C.
Boiling Point: 32.00 °C. @ 30.00 mm Hg
Vapor Pressure: 8.215000 mm/Hg @ 25.00 °C. (est)
Flash Point: 60.00 °F. TCC ( 15.56 °C. )
logP (o/w): 4.249 (est)
Soluble in:
 alcohol
 water, 5.119 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: citrus
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
Substantivity: 8 hour(s) at 100.00 %
 lime citrus lemon herbal terpenic
Odor Description:
at 10.00 % in dipropylene glycol.
lime citrus lemon herbal terpene
Luebke, William tgsc, (1989)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
TRIMETHYL CYCLOHEXENE
Odor Description: A strong lemon-lime topnote
For use in citrus compositions requiring a lemon-lime lift.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
TRIMETHYL CYCLOHEXENE
Odor: A strong lemon-lime topnote
Use: For use in citrus compositions requiring a lemon-lime lift.
 
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 trimethyl cyclohexene usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for trimethyl cyclohexene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 68555-95-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1993
WGK Germany: 2
 1,2,3-trimethylcyclohexene
Chemidplus: 0068555953
 
References:
 1,2,3-trimethylcyclohexene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 68555-95-3
Pubchem (cas): 68555-95-3
 
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): Search
ChemSpider: View
 
Potential Blenders and core components note
For Odor
citrus
acetaldehyde citronellyl methyl acetal
FR
aldehydic nitrile
FR
citral / methyl anthranilate schiff's base
FR
citronellyl nitrile
FR
citrus ocimenol
FR
dihydromyrcenyl acetate
FR
dimyrcetol (IFF)
FR
homo
geranyl nitrile
FR
lime octadienal
FR
lime pyran
FR
mandarin lemon fagrance
FR
neroli ketone
FR
tetrahydromyrcenol
FR
herbal
melaleuca linariifolia oil
FR
origanum oil terpenes
FR
pine
dipentene terpene hydrocarbon byproducts
FR
For Flavor
 
Potential Uses:
 citrusFR
 herbalFR
 lemonFR
 limeFR
 orangeFR
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
 cyclohexene, 1,2,3-trimethyl-
1,5,5-trimethyl cyclohexene
1,2,3-trimethylcyclohexene
 
 
Notes:
None found
 
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