Basic information
- CAS
30951-95-2- Standard SMILES
CCC(C)=C(C)CC- InChIKey
XTUXVDJHGIEBAA-UHFFFAOYSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Names & identifiers
- Preferred name
- 3,4-Dimethylhex-3-ene
- IUPAC
- 3,4-dimethylhex-3-ene
- English name
- 3,4-dimethylhex-3-ene
- Molecular formula
- C8H16
- Molecular weight
- 112.21
Names & synonyms
3,4-Dimethylhex-3-eneSCHEMBL1287804SCHEMBL9320699SCHEMBL9727873SCHEMBL11469161XTUXVDJHGIEBAA-UHFFFAOYSA-NNS00028998Einecs 250-404-83,4-Dimethylhexene-33-Hexene, 3,4-dimethyl-(cis + trans)-3,4-dimethyl-3-hexene
Database identifiers
- CAS
30951-95-2- PubChem CID
- 88151
- DTXSID
DTXSID7067582- EC Number
- 250-404-8
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.2
Physicochemical properties
- Boiling point
- 119.2 · 119.2-119.4 °C(Press: 770 Torr)
- Density
- 0.7415 g/cm3 · 0.7415 g/cm3
- EPA Substance Registry System
- 3 · 3-Hexene, 3,4-dimethyl- (30951-95-2)
- 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
Suppliers2 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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