Basic information
- CAS
2388-81-0- Standard SMILES
CCCCCC(=O)CCCCCCCCCC(=O)O- InChIKey
ANQQVTWQIBPDKQ-UHFFFAOYSA-N- Molecular formula
- C16H30O3
- Average molar mass
- 270.41 g/mol
- Monoisotopic mass
- 270.21949481
Overview
11-Oxohexadecanoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 11-Oxohexadecanoic acid
- IUPAC
- 11-oxohexadecanoic acid
- English name
- 11-Oxohexadecanoic acid
- Molecular formula
- C16H30O3
- Molecular weight
- 270.41
Names & synonyms
11-oxohexadecanoic acid2388-81-011-keto palmitic acidHexadecanoic acid, 11-oxo-11-oxo-hexadecanoic acid11-Ketopalmitic acid11-Oxopalmitic acidSCHEMBL7051056CHEBI:174565DTXSID101313883LMFA01060058G68056
Database identifiers
- CAS
2388-81-0- PubChem CID
- 5283003
- DTXSID
DTXSID101313883- ChEBI
CHEBI:174565- Nikkaji
- J206.181C
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 236
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Melting Point74 - 75 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 74 · 74-75 °C
- Boiling point
- 404.1 · 404.1±18.0 °C(Predicted)
- Density
- 0.95 · 0.950±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Suppliers3 total
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Additional notes
DefinitionChEBI: 11-Oxohexadecanoic acid is a long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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