Methyl 3-oxohexadecanoate
Basic information
- CAS
14427-53-3- Standard SMILES
CCCCCCCCCCCCCC(=O)CC(=O)OC- InChIKey
OEEDRMFBAHHVQI-UHFFFAOYSA-N- Molecular formula
- C17H32O3
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.23514488
Names & identifiers
- Preferred name
- Methyl 3-oxohexadecanoate
- IUPAC
- methyl 3-oxohexadecanoate
- English name
- methyl 3-oxohexadecanoate
- Molecular formula
- C17H32O3
- Molecular weight
- 284.43
Names & synonyms
Methyl 3-oxohexadecanoate14427-53-3EINECS 238-399-0DTXSID50162662NSC 157678RefChem:157525DTXCID6085153238-399-0Hexadecanoic acid,3-oxo-, methyl esterHexadecanoic acid, 3-oxo-, methyl esterU864V86N9HNSC-157678
Show more names
3-Ketopalmitic acid methyl ester3-Oxohexadecanoic acid methyl ester
NSC157678methyl-3-oxohexadecanoateUNII-U864V86N9HSCHEMBL3187580OEEDRMFBAHHVQI-UHFFFAOYSA-NMFCD00086607AKOS030255085BS-48573
Database identifiers
- CAS
14427-53-3- PubChem CID
- 84430
- DTXSID
DTXSID50162662- UNII
- U864V86N9H
- EC Number
- 238-399-0
- Nikkaji
- J183.105D
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 32 · 32 - 41°C
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale to Light Yellow
- LogP
- 6.56 · 6.560 (est)
- FDA UNII
- 864 V86N9H · U864V86N9H
Chemistry & industry
Applications
UsesMethyl 3-Oxohexadecanoate is an intermediate in the synthesis of 3-Hydroxyhexadecanoic Acid Methyl Ester (H825380), which is a fatty acid ester extracted from the flowers of Trollius chinensis Bunge.
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Related reactions
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Compound notes
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