Hydroxylauric Acid

HCID 97783
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Basic information

CAS
2984-55-6
Standard SMILES
CCCCCCCCCCC(O)C(=O)O
InChIKey
YDZIJQXINJLRLL-UHFFFAOYSA-N
Molecular formula
C12H24O3
Average molar mass
216.32 g/mol
Monoisotopic mass
216.17254463

Overview

2-hydroxydodecanoic acid is a monohydroxy fatty acid with a lauric acid core substituted at position 2 by a hydroxy group, which confers chirality; a component of cellular lipids in Pseudomonas strains. It is a 2-hydroxy fatty acid and a 2-hydroxy monocarboxylic acid. It is functionally related to a dodecanoic acid. It is a conjugate acid of a 2-hydroxydodecanoate.

Names & identifiers

Preferred name
Hydroxylauric Acid
IUPAC
2-hydroxydodecanoic acid
English name
2-HYDROXYDODECANOIC ACID
Molecular formula
C12H24O3
Molecular weight
216.32

Names & synonyms

2-Hydroxydodecanoic acid2-Hydroxylauric acidhydroxylauric acid2-hydroxy lauric acidDodecanoic acid, 2-hydroxy-62H8XD5QSU2-OH-C12EINECS 221-048-0NSC-39025DL-2-HYDROXYLAURIC ACIDALPHA HYDROXY LAURIC ACIDCHEBI:36211
Show more names
10-Hydroxylauric acid10-Hydroxydodecanoic acid2-HYDROXY C12:0 ACIDα-Hydroxylauric aciddl-A-hydroxylauric acidDL-α-Hydroxylauric acidALPHA-HYDROXY LAURIC ACID
DTXSID501021252DL-2-HYDROXYDODECANOIC ACIDNSC 39025.ALPHA.-HYDROXYDODECANOIC ACIDRefChem:789523alpha-hydroxydodecanoic acidDTXCID10836231HYDROXYLAURIC ACID [INCI]

Database identifiers

CAS
2984-55-6
PubChem CID
97783
DTXSID
DTXSID501021252
ChEMBL
CHEMBL4278254
ChEBI
CHEBI:36211
UNII
62H8XD5QSU
EC Number
221-048-0
Nikkaji
J205.277F

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
10
Heavy atoms
15

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Cosmetics · 2 items

Cosmetic ingredients (Hydroxylauric Acid) -> CIR (Cosmetic Ingredient Review)

Skin conditioning

Physicochemical properties

Melting point
46 · 46-47 °C
Boiling point
348.5 · 348.5±15.0 °C(Predicted)
Density
0.987 · 0.987±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly),
form
Solid

Safety & regulation

Toxicology

Toxicity Summary · 2 items

The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating and non-sensitizing, which may be based on a QRA...Hydroxylauric Acid...

Safe for use in cosmetics, with qualifications

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
Storage Class
11 - Combustible Solids

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Hydroxylauric Acid
Use ClassificationCosmetics -> Skin conditioning
Applications · 1 item

Uses(8Z,11Z,14Z)-8,11,14-Heptadecatrienoic Acid, is a naturally occurring hydroxylated fatty acid that is found in Acinetobacter species. It acts as a partial agonist of free fatty acid receptor 1 (FFAR1/GPR40) and GPR84 receptors in vitro. It also inhibits bovine hepatic ligase (Ki = 4.4 μM) and mouse kidney mitochondrial medium-chain acyl-CoA synthetase by 48% at a concentration of 40 μM.

Suppliers33 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
绵阳菁华科技有限公司17378635159

Additional notes

DefinitionChEBI: A monohydroxy fatty acid with a lauric acid core substituted at position 2 by a hydroxy group, which confers chirality; a component of cellular lipids in Pseudomonas strains.

Related reactions

11 records
New reaction record

Compound notes

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