Basic information
- CAS
111902-21-7- Standard SMILES
C=CC(C)CC(C)C(=O)CC- InChIKey
BOBHRIZDBFPAKV-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 7-Octen-3-one, 4,6-dimethyl-
- IUPAC
- 4,6-dimethyloct-7-en-3-one
- English name
- 4,6-DIMETHYL-7-OCTEN-3-ONE
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
7-Octen-3-one, 4,6-dimethyl-63323-26-2DTXSID50886578RefChem:106489DTXCID6010259024,6-DIMETHYL-7-OCTEN-3-ONE4,6-dimethyloct-7-en-3-oneBOBHRIZDBFPAKV-UHFFFAOYSA-NDB-305309
Database identifiers
- CAS
111902-21-7、63323-26-2- PubChem CID
- 112641
- DTXSID
DTXSID50886578- Nikkaji
- J429.557I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 201.6 · 201.6±19.0 °C(Predicted)
- Density
- 0.826 · 0.826±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 7 · 7-Octen-3-one, 4,6-dimethyl- (63323-26-2)
- 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
Uses & manufacturing
General Manufacturing Information7-Octen-3-one, 4,6-dimethyl-: INACTIVE
Suppliers1 total
CHEMSAMPCO[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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