Hydroxyundecanoic acid
Basic information
- CAS
6336-28-3- Standard SMILES
CC(O)CCCCCCCCC(=O)O- InChIKey
UHZWUNLTEZCDMA-UHFFFAOYSA-N- Molecular formula
- C11H22O3
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.15689456
Overview
(10R)-10-hydroxyundecanoic acid is an (1)-hydroxy fatty acid that is undecanoic acid in which the 10-pro-R hydrogen is replaced by a hydroxy group. It is a medium-chain fatty acid and an (omega-1)-hydroxy fatty acid.
Names & identifiers
- Preferred name
- Hydroxyundecanoic acid
- IUPAC
- 10-hydroxyundecanoic acid
- English name
- HYDROXYUNDECANOIC ACID
- Molecular formula
- C11H22O3
- Molecular weight
- 202.29
Names & synonyms
10-hydroxyundecanoic acidHydroxyundecanoic acid6336-28-3X2TE94NE7RNSC-39026Undecanoic acid, 10-hydroxy-DTXSID701021577RefChem:1087103DTXCID10150658910-hydroxy-undecanoic acid(+/-)-Hydroxyundecanoic acidHydroxyundecanoic acid, (+/-)-
Show more names
10-hydroxyundecanoicaci
(10R)-10-hydroxyundecanoic acid(+)-10-Hydroxyundecanoic acidNSC39026UNII-X2TE94NE7RSCHEMBL716914(-)-10-hydroxyundecanoic acid(-)-10-hydroxyhendecanoic acidCHEBI:78956
Database identifiers
- CAS
6336-28-3- PubChem CID
- 236483
- DTXSID
DTXSID701021577- ChEBI
CHEBI:78956- UNII
- X2TE94NE7R
- Nikkaji
- J262.037E、J262.038C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Melting point
- 49 · 49-49.5 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 338.7 · 338.7±15.0 °C(Predicted)
- Density
- 0.998 · 0.998±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 TE94NE7R · X2TE94NE7R
Chemistry & industry
Additional notes
DefinitionChEBI: (10R)-10-hydroxyundecanoic acid is an (omega-1)-hydroxy fatty acid that is undecanoic acid in which the 10-pro-R hydrogen is replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid and a medium-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…