Ethyl 7-oxooctanoate
Basic information
- CAS
36651-36-2- Standard SMILES
CCOC(=O)CCCCCC(C)=O- InChIKey
IJIXKXZGLVMEDN-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Names & identifiers
- Preferred name
- Ethyl 7-oxooctanoate
- IUPAC
- ethyl 7-oxooctanoate
- English name
- 7-Ketocaprylic acid ethyl ester
- Molecular formula
- C10H18O3
- Molecular weight
- 186.25
Names & synonyms
Ethyl 7-oxooctanoate36651-36-27-Ketocaprylic acid ethyl esterOctanoic acid, 7-oxo-, ethyl esterEthyl7-oxooctanoateMFCD30470128Ethyl 7-oxooctanoate #ethyl 7-oxidanylideneoctanoateSCHEMBL16022550DTXSID50301110IJIXKXZGLVMEDN-UHFFFAOYSA-NNSC141180
Show more names
ethyl 7-oxaoctanoate7-oxyoctanoic acidethyl ester7-Oxooctanoic acid ethyl ester
AKOS028108658NSC-141180AS-60453DB-114559A11116F813188
Database identifiers
- CAS
36651-36-2- PubChem CID
- 284869
- DTXSID
DTXSID50301110- Nikkaji
- J113.684D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 121 · 121-122 °C(Press: 9 Torr)
- Density
- 0.9708 g/cm3 · 0.9708 g/cm3(Temp: 25 °C)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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