4-Hydroxy lauric acid
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Basic information
- CAS
16899-07-3- Standard SMILES
CCCCCCCCC(O)CCC(=O)O- InChIKey
UZNDHCZORMBARB-UHFFFAOYSA-N- Molecular formula
- C12H24O3
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.17254462
Overview
4-hydroxylauric acid is a hydroxy fatty acid comprising lauric acid carrying a hydroxy group at C-4. It is a hydroxy fatty acid, a 4-hydroxy monocarboxylic acid, a straight-chain fatty acid and a medium-chain fatty acid. It is functionally related to a dodecanoic acid.
Names & identifiers
- Preferred name
- 4-Hydroxy lauric acid
- IUPAC
- 4-hydroxydodecanoic acid
- English name
- (ω-4)-Hydroxylauric acid
- Molecular formula
- C12H24O3
- Molecular weight
- 216.32
Names & synonyms
4-hydroxylauric acid4-hydroxy lauric acid4-hydroxy-dodecanoic acidCHEBI:36214RefChem:10707254-hydroxydodecanoic acid16899-07-3gamma-Oxy-laurinsaeure4-hydroxydodecanoicacid4-Hydroxy-dodecansaeure4-HydroxyA-dodecanoic acidSCHEMBL225928
Show more names
8-Hydroxylauric acid8-Hydroxydodecanoic acid(ω-4)-Hydroxylauric acidDodecanoic acid, 4-hydroxy-
SCHEMBL3343339CHEMBL12694023-Oxy-undecan-carbonsaeure-(1)LMFA01050038EN300-188788Q27116744
Database identifiers
- CAS
16899-07-3- PubChem CID
- 5282900
- ChEMBL
CHEMBL1269402- ChEBI
CHEBI:36214- Nikkaji
- J262.039A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Melting point
- 62.5 · 62.5-63.5 °C
- Boiling point
- 361.017 · 361.017±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.987 · 0.987±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.616 · 4.616±0.10(predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 4-hydroxylauric acid is a hydroxy fatty acid comprising lauric acid carrying a hydroxy group at C-4. It is a 4-hydroxy monocarboxylic acid, a medium-chain fatty acid, a hydroxy fatty acid and a straight-chain fatty acid. It is functionally related to a dodecanoic acid.
Related reactions
0 records
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Compound notes
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