Basic information
- CAS
60462-02-4- Standard SMILES
CCCCCC(=O)C(C(C)=O)C(=O)OCC- InChIKey
IMBGUKJEVQHNPC-UHFFFAOYSA-N- Molecular formula
- C12H20O4
- Average molar mass
- 228.28 g/mol
- Monoisotopic mass
- 228.13615911
Names & identifiers
- Preferred name
- Octanoic acid, 2-acetyl-3-oxo-, ethyl ester
- IUPAC
- ethyl 2-acetyl-3-oxooctanoate
- English name
- ethyl 2-acetyl-3-oxooctanoate
- Molecular formula
- C12H20O4
- Molecular weight
- 228.28
Names & synonyms
Ethyl 2-acetyl-3-oxooctanoate60462-02-4Octanoic acid, 2-acetyl-3-oxo-, ethyl esterEINECS 262-246-7DTXSID30886399NSC 101562RefChem:167798DTXCID701025729262-246-7NSC101562IMBGUKJEVQHNPC-UHFFFAOYSA-NNSC-101562
Show more names
2-Acetyl-3-oxooctanoic acid ethyl ester
DB-319359NS00054593
Database identifiers
- CAS
60462-02-4- PubChem CID
- 98314
- DTXSID
DTXSID30886399- EC Number
- 262-246-7
- Nikkaji
- J268.200A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- EPA Substance Registry System
- 2 · Octanoic acid, 2-acetyl-3-oxo-, ethyl ester (60462-02-4)
- 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 InformationOctanoic acid, 2-acetyl-3-oxo-, ethyl ester: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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