Basic information
- CAS
760-97-4- Standard SMILES
CC(=O)C(C)CC=C(C)C- InChIKey
GFFWTYGLHZTFHM-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 5-Hepten-2-one, 3,6-dimethyl-
- IUPAC
- 3,6-dimethylhept-5-en-2-one
- English name
- 3,6-dimethylhept-5-en-2-one
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
760-97-45-Hepten-2-one, 3,6-dimethyl-EINECS 212-086-9DTXSID70883564RefChem:536063DTXCID5010230843,6-Dimethylhept-5-en-2-oneSCHEMBL10878954GFFWTYGLHZTFHM-UHFFFAOYSA-NAKOS010223430NS000430803,6-Dimethyl-5-hepten-2-one
Database identifiers
- CAS
760-97-4- PubChem CID
- 102481
- DTXSID
DTXSID70883564- EC Number
- 212-086-9
- Nikkaji
- J193.125C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 65 · 65-66 °C(Press: 11 Torr)
- Density
- 0.8502 g/cm3 · 0.8502 g/cm3(Temp: 16.7 °C)
- EPA Substance Registry System
- 5 · 5-Hepten-2-one, 3,6-dimethyl- (760-97-4)
- 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 Information5-Hepten-2-one, 3,6-dimethyl-: INACTIVE
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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