Basic information
- CAS
586-63-0- Standard SMILES
CC(C)=C1C=CC(C)CC1- InChIKey
CIPXOBMYVWRNLL-UHFFFAOYSA-N- Molecular formula
- C10H16
- Average molar mass
- 136.23 g/mol
- Monoisotopic mass
- 136.12520051
Overview
Isoterpinolene is a p-menthadiene with double bonds at positions 2 and 4(8). It has a role as a plant metabolite and a human metabolite. It is a cycloalkene and a p-menthadiene.
Names & identifiers
- Preferred name
- Isoterpinolene
- IUPAC
- 3-methyl-6-propan-2-ylidenecyclohexene
- English name
- 3-methyl-6-(1-methylethylidene)cyclohexene
- Molecular formula
- C10H16
- Molecular weight
- 136.23
Names & synonyms
Isoterpinolenep-Mentha-2,4(8)-diene586-63-03-Methyl-6-(1-methylethylidene)cyclohexene3-methyl-6-propan-2-ylidenecyclohexeneVR4XVW6V2H3-METHYL-6-(PROPAN-2-YLIDENE)CYCLOHEX-1-ENEEINECS 209-579-6p-2,4(8)-Menthadienepara-Mentha-2,4(8)-diene3-Methyl-6-(1-methylethylidene)-cyclohexeneCHEBI:88840
Show more names
ISOTERPINOLONECyclohexen, 3-methyl-6-(1-methyle3-methyl-6-propan-2-ylidene-cyclohexene3-Isopropylidene-6-methyl-1-cyclohexene
DTXSID808622443-Isopropylidene-6-methyl-cyclohexeneRefChem:150026DTXCID608110383-methyl-6-(propan-2-ylidene)cyclohexene209-579-6CIPXOBMYVWRNLL-UHFFFAOYSA-NCyclohexene, 3-methyl-6-(1-methylethylidene)-
Database identifiers
- CAS
586-63-0- PubChem CID
- 102443
- DTXSID
DTXSID80862244- ChEBI
CHEBI:88840
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 189 °C · 189 °C
- Density
- 0.8561 g/cm3 · 0.8561 g/cm3
- LogP
- 4.45 · 4.450 (est)
- FDA UNII
- 4 XVW6V2H · VR4XVW6V2H
- EPA Substance Registry System
- 3 · Cyclohexene, 3-methyl-6-(1-methylethylidene)- (586-63-0)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Cyclohexene, 3-methyl-6-(1-methylethylidene)-
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Chemsigma International Co., Ltd.+86-2558742998 +86-19951791336 · [email protected]
Additional notes
DefinitionChEBI: Isoterpinolene is a p-menthadiene with double bonds at positions 2 and 4(8). It has a role as a human metabolite and a plant metabolite. It is a cycloalkene and a p-menthadiene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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