Hydroxyoctadecanoic acid
Basic information
- CAS
1330-70-7- Standard SMILES
CCCCCCCCCCCCC(O)CCCCC(=O)O- InChIKey
LXKCZUOSRQSRHW-UHFFFAOYSA-N- Molecular formula
- C18H36O3
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.26644501
Names & identifiers
- Preferred name
- Hydroxyoctadecanoic acid
- IUPAC
- 6-hydroxyoctadecanoic acid
- English name
- 6-hydroxystearic acid
- Molecular formula
- C18H36O3
- Molecular weight
- 300.48
Names & synonyms
Hydroxyoctadecanoic acidhydroxystearic acidshydroxyoctadecanoic acidsRefChem:789534CHEBI:24747DTXSID00862640DTXCID2017749556-hydroxyoctadecanoic acid3158-47-2DL-6-hydroxy stearic acid6-hydroxy-octadecanoic acid6-HYDROXYSTEARIC ACID
Show more names
Octadecanoic acid, 6-hydroxy-
6-hydroxy stearic acidSCHEMBL1872780LXKCZUOSRQSRHW-UHFFFAOYSA-NEINECS 215-545-1LMFA02000124HY-W718424
Database identifiers
- CAS
1330-70-7、3158-47-2- PubChem CID
- 102607
- EC Number
- 215-545-1
- Nikkaji
- J297.108I
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200]
Physicochemical properties
- Melting point
- 81.8 · 81.8-82.6 °C
- Boiling point
- 433.9 · 433.9±28.0 °C(Predicted)
- Density
- 0.944 · 0.944±0.06 g/cm3(Predicted)
- pka
- 4.75 · 4.75±0.10(Predicted)
Chemistry & industry
Applications
Uses6-Hydroxyoctadecanoic Acid, is a hydroxylated fatty acid.
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Compound notes
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