Basic information
- CAS
503-46-8- Standard SMILES
CC1=CCCC(C)(C)C1- InChIKey
CHOOCIQDWNAXQQ-UHFFFAOYSA-N- Molecular formula
- C9H16
- Average molar mass
- 124.22 g/mol
- Monoisotopic mass
- 124.12520051
Names & identifiers
- Preferred name
- Cyclohexene, trimethyl-
- IUPAC
- 1,5,5-trimethylcyclohexene
- English name
- TRIMETHYL CYCLOHEXENE
- Molecular formula
- C9H16
- Molecular weight
- 124.22
Names & synonyms
1,5,5-Trimethylcyclohexene503-46-8Cyclohexene, trimethyl-Cyclohexene, 1,5,5-trimethyl-EINECS 207-969-0DTXSID40867679EINECS 271-464-1RefChem:580787DTXCID20815850207-969-068555-95-3Trimethylcyclohexene
Show more names
TRIMETHYL CYCLOHEXENE2,6,6-Trimethylcyclohexene2,6,6-Trimethyl-1-cyclohexene
1,5,5-trimethylcyclohex-1-ene5-Trimethylcyclohexen2,4,4-trimethylcyclohexeneSCHEMBL898668SCHEMBL1179272SCHEMBL4619361SCHEMBL28190275NS00043095
Database identifiers
- CAS
503-46-8、68555-95-3- PubChem CID
- 79032
- DTXSID
DTXSID40867679- EC Number
- 207-969-0、271-464-1
- Nikkaji
- J11.592D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 129
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Odor
- 10 % · at 10.00 % in dipropylene glycol. lime citrus lemon herbal terpene
- Odor Type
- citrus
- LogP
- 4.249 · 4.249 (est)
- EPA Substance Registry System
- Trimethylcyclohexene (68555-95-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Cyclohexene, 1,5,5-trimethyl-
Chemical: Cyclohexene, trimethyl-
Cyclohexene, trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexene, trimethyl-: ACTIVE
Suppliers1 total
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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