Basic information
- CAS
4233-57-2- Standard SMILES
CCC(=O)CCCCC(=O)O- InChIKey
PUOYTVHCFIDKJM-UHFFFAOYSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
- Monoisotopic mass
- 158.0942943
Overview
6-Keto-n-caprylic acid is an oxo carboxylic acid.
Names & identifiers
- Preferred name
- 6-Keto-n-caprylic acid
- IUPAC
- 6-oxooctanoic acid
- English name
- 6-OXO-OCTANOIC ACID
- Molecular formula
- C8H14O3
- Molecular weight
- 158.2
Names & synonyms
6-oxo-octanoic acid6-keto-n-caprylic acidRefChem:10740186-Oxooctanoic acid4233-57-2Octanoic acid, 6-oxo-MFCD013201606-oxocaprylic acidSCHEMBL11275177DTXSID60195143CHEBI:165436LMFA01060020
Show more names
6-Ketocaprylic acid
AKOS006277606MS-21412E80286AC-907/34120031F207257
Database identifiers
- CAS
4233-57-2- PubChem CID
- 77914
- DTXSID
DTXSID60195143- ChEBI
CHEBI:165436- Nikkaji
- J206.102C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Physicochemical properties
- Melting point
- 52 °C · 52 °C
- Boiling point
- 311.1 · 311.1±25.0 °C(Predicted)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
- pka
- 4.68 · 4.68±0.10(Predicted)
Chemistry & industry
Suppliers9 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
武汉问津化学科技有限公司13517196568 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
迪派格（渭南）生物科技有限公司15114901355 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Additional notes
DefinitionChEBI: 6-Keto-n-caprylic acid is an oxo carboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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