4-Heptanone, 3-ethyl-
Basic information
- CAS
1528-25-2- Standard SMILES
CCCC(=O)C(CC)CC- InChIKey
QMQBUTKELHAKRH-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 4-Heptanone, 3-ethyl-
- IUPAC
- 3-ethylheptan-4-one
- English name
- 3-Ethyl-4-heptanone
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
3-Ethyl-4-heptanone4-Heptanone, 3-ethyl-DTXSID4061755RefChem:99082DTXCID9034943QMQBUTKELHAKRH-UHFFFAOYSA-N1528-25-23-ethylheptan-4-oneSCHEMBL9883262SCHEMBL11578716AKOS017516271DB-043160
Database identifiers
- CAS
1528-25-2- PubChem CID
- 73713
- DTXSID
DTXSID4061755- Nikkaji
- J421.577J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 92.9
Physicochemical properties
- Boiling point
- 174.5 · 174.5-175.5 °C(Press: 741 Torr)
- Density
- 0.814 · 0.814±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 4 · 4-Heptanone, 3-ethyl- (1528-25-2)
- 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 Information4-Heptanone, 3-ethyl-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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