Basic information
- CAS
1883-13-2- Standard SMILES
CCCCCCCCCC(O)CC(=O)O- InChIKey
MUCMKTPAZLSKTL-UHFFFAOYSA-N- Molecular formula
- C12H24O3
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.17254463
Overview
3-hydroxylauric acid is a medium-chain fatty acid that is the 3-hydroxylated derivative of lauric acid; associated with fatty acid metabolic disorders. It is a medium-chain fatty acid and a 3-hydroxy fatty acid. It is functionally related to a dodecanoic acid. It is a conjugate acid of a 3-hydroxylaurate.
Names & identifiers
- Preferred name
- (+-)-3-Hydroxydodecanoic acid
- IUPAC
- 3-hydroxydodecanoic acid
- English name
- 3-Hydroxydodecanoic acid
- Molecular formula
- C12H24O3
- Molecular weight
- 216.32
Names & synonyms
3-Hydroxydodecanoic acid1883-13-23-Hydroxylauric acidDodecanoic acid, 3-hydroxy-3-hydroxy-dodecanoic acidCHEBI:36206DTXSID70862773RefChem:502554(+-)-3-Hydroxydodecanoic acidDTXCID80811494beta-Hydroxylauric acid3-hydroxy lauric acid
Show more names
3-hydroxylauricaci3-HYDROXY C12:0 ACIDDL-β-Hydroxylauric acidDL-2-Hydroxylauric acidDodecanoic acid,3-hydroxy-DL-BETA-HYDROXYLAURIC ACID3-Hydroxydodecanoic acid, 98 %(+/-)-3-HYDROXYDODECANOIC ACID
53941-38-1MFCD001332793-OH lauric acid3-OH dodecanoic acidbeta-OH dodecanoic acidbeta-Hydroxydodecanoic acidGTPL5850CHEMBL4288936
Database identifiers
- CAS
1883-13-2- PubChem CID
- 94216
- DTXSID
DTXSID70862773
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 70 · 70-70.5 °C
- Boiling point
- 113 · 113-115 °C(Press: 3 Torr)
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.38 · 4.38±0.10(Predicted)
- color
- Pale Beige to Light Beige
- InChI
- InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
- InChIKey
- MUCMKTPAZLSKTL-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CC(O)CCCCCCCCC
- LogP
- 3.11 · 3.110 (est)
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
Uses3-Hydroxylauric Acid is used in the study of Lipid A, a major constituent of the lipopolysaccharides, which are responsible for the toxicity of gram negative bacteria. Also used in the synthesis of olefins from β-hydroxy carboxylic acids.
Uses3-hydroxydodecanoic acid is used in the study of Lipid A, a major constituent of the lipopolysaccharides, which are responsible for the toxicity of gram negative bacteria. Also used in the synthesis of olefins from β-hydroxy carboxylic acids.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers51 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Related reactions
4 records
Compound notes
Loading…