Basic information
- CAS
933-12-0- Standard SMILES
CC1C=CCC(C)(C)C1- InChIKey
CBERVMGFVLWZSU-UHFFFAOYSA-N- Molecular formula
- C9H16
- Average molar mass
- 124.22 g/mol
- Monoisotopic mass
- 124.12520051
Names & identifiers
- Preferred name
- 3,5,5-Trimethylcyclohexene
- IUPAC
- 3,5,5-trimethylcyclohexene
- English name
- 3,5,5-Trimethylcyclohexene
- Molecular formula
- C9H16
- Molecular weight
- 124.22
Names & synonyms
3,5,5-TrimethylcyclohexeneCyclohexene, 3,5,5-trimethyl-delta-Cyclogeraniolene.delta.-CyclogeranioleneEINECS 213-265-4NSC 73960DTXSID00883618RefChem:91308DTXCID901023129503-44-6Cyclohexene, 3,5,5-trimethyl-(VAN) (8CI)Cyclohexene, 3,5,5-trimethyl-(VAN) (8CI)(9CI)
Show more names
δ-cyclogeraniolene3,5,5-trimethyl-cyclohexen3,3,5-TRIMETHYL CYCLOHEXENEcyclohexene,3,5,5-trimethyl-3,5,5-Trimethyl-1-cyclohexene
213-265-4CBERVMGFVLWZSU-UHFFFAOYSA-N933-12-03,5,5-trimethylcyclohex-1-eneI -cyclogeranioleneNSC73960NCIOpen2_0005043,5,5-trimethyl-cyclohexene
Database identifiers
- CAS
933-12-0- PubChem CID
- 79132
- DTXSID
DTXSID00883618- EC Number
- 213-265-4
- Nikkaji
- J12.296C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -91.55 °C · -91.55°C
- Boiling point
- 133.61 °C · 133.61°C
- Density
- 0.7934 · 0.7934 (estimate)
- refractive index
- 1.4524 · 1.4524 (estimate)
- LogP
- 4.37 · 4.370 (est)
- EPA Substance Registry System
- 3 · Cyclohexene, 3,5,5-trimethyl- (933-12-0)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexene, 3,5,5-trimethyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers3 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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