12-Hydroxydodecanoic Acid (HCID 79034)

Overview

12-hydroxylauric acid is a medium-chain fatty acid that is the 12-hydroxylated derivative of lauric acid. It has a role as a human metabolite. It is functionally related to a dodecanoic acid. It is a conjugate acid of a 12-hydroxylaurate.

Names & identifiers

Preferred name: 12-Hydroxydodecanoic Acid
IUPAC: 12-hydroxydodecanoic acid
English name: 12-Hydroxydodecanoic acid
Molecular formula: C12H24O3
Molecular weight: 216.32

Names & synonyms

12-Hydroxydodecanoic acid505-95-312-hydroxylauric acidomega-hydroxylauric acidCHEBI:39567SUH3LR2K9DDTXSID90198521NSC-159293NSC-664211RefChem:437341DTXCID50121012208-025-0

Show more names

12-hydroxydodecanic acid12-Hydroxydodecanoic acid 97%12-Hydroxydodecanoic acid - [H94813]12-Hydroxydodecanoic acid, 10 mM in DMSO12-Hydroxydodecanoic acid, 97% white powder2-[(5-Methylfuran-2-yl)methyl]-2,3-dihydro-1H-pyrazol-3-imine hydrochloride

Dodecanoic acid,12-hydroxy-Dodecanoic acid, 12-hydroxy-Sabinic acid12-hydroxy-dodecanoic acid12-hydroxy lauric acid12-HYDROXYDODECANOICACIDomega-Hydroxydodecanoic acidMFCD00002739

Database identifiers

CAS: 505-95-3
PubChem CID: 79034
DTXSID: DTXSID90198521
ChEMBL: CHEMBL55068
ChEBI: CHEBI:39567
UNII: SUH3LR2K9D
EC Number: 208-025-0
Nikkaji: J182.260H

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 11
Heavy atoms: 15
Formal charge: 0
Complexity: 146

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]

Melting Point85.00 to 88.00 °C. @ 760.00 mm Hg

Physical DescriptionSolid

Collision Cross Section · 2 items

152.6 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

160.3 Å² [M+Na]+

Physicochemical properties

Melting point: 85 · 85-88 °C(lit.)
Boiling point: 296.74 °C · 296.74°C (rough estimate)
Density: 0.988 · 0.988±0.06 g/cm3 (20 ºC 760 Torr)
refractive index: 1.441 · 1.4410 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
pka: 4.78 · 4.78±0.10(Predicted)
form: Solid
color: White
BRN: 1238370 · 1238370
Stability: Stable. Incompatible with bases, reducing agents and oxidizing agents. Combustible. May cause dust explosion when mixed with air.
InChI: 1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
InChIKey: ZDHCZVWCTKTBRY-UHFFFAOYSA-N
SMILES: OCCCCCCCCCCCC(O)=O
LogP: 2.866 · 2.866 (est)
FDA UNII: 3 LR2K9D · SUH3LR2K9D
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Pharmacology

Metabolism/Metabolites12-Hydroxylauric acid is a known human metabolite of lauric acid.

Cellular LocationsExtracellular

Applications

Uses12-Hydroxylauric Acid is used in the structural and functional characterization of S-nitrosoglutathione reductase from Solanum lycopersicum.

Uses12-Hydroxydodecanoic acid was used in the synthesis of high molecular weight poly[(12-hydroxydodecanoate)-co-(12-hydroxystearate)] [poly(12HD-co-12HS)] samples with variable monomer ratios using methyl 12-hydroxystearate.

Upstream & downstream products

Downstream products

Suppliers50 total

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 12-hydroxylauric acid is a medium-chain fatty acid that is the 12-hydroxylated derivative of lauric acid. It has a role as a human metabolite. It is functionally related to a dodecanoic acid. It is a conjugate acid of a 12-hydroxylaurate.