10-ヒドロキシラウリン酸

Hydroxylauric Acid

HCID 97783CAS 2984-55-6

基本情報

標準SMILES: CCCCCCCCCCC(O)C(=O)O
InChIKey: YDZIJQXINJLRLL-UHFFFAOYSA-N
分子式: C12H24O3
平均分子量: 216.32 g/mol
単同位体質量: 216.17254463

概要

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.

名称と識別子

優先名称: Hydroxylauric Acid
IUPAC: 2-hydroxydodecanoic acid
現地名: 10-ヒドロキシラウリン酸
英語名: 2-HYDROXYDODECANOIC ACID
分子式: C12H24O3
分子量: 216.32

名称と別名

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

名称をさらに表示

10-ヒドロキシドデカン酸10-ヒドロキシラウリン酸2-ヒドロキシドデカン酸(ω-2)-ヒドロキシラウリン酸2-ヒドロキシラウリン酸ヒドロキシラウリン酸2‐ヒドロキシドデカン酸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]

データベース識別子

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

物性

構造計算による物性

XLogP: 4.2
極性表面積: 57.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 10
重原子数: 15
形式電荷: 0
複雑度: 157

実験および物理化学的性質

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

Cosmetics · 2 件

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

Skin conditioning

物理化学的性質

融点: 46 · 46-47 °C
沸点: 348.5 · 348.5±15.0 °C(Predicted)
比重(密度): 0.987 · 0.987±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（微量）、DMSO（微量）、メタノール（微量）、
外見: 個体
酸解離定数(Pka): 3.86 · 3.86±0.21(Predicted)
色: ホワイトからオフホワイト
安定性: Hygroscopic
化粧品成分の機能: スキンコンディショニング
InChI: 1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
InChIKey: YDZIJQXINJLRLL-UHFFFAOYSA-N
SMILES: CCCCCCCCCCC(O)C(O)=O
LogP: 3.735 · 3.735 (est)

安全と法規制

毒性情報

Toxicity Summary · 2 件

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

安全データ

wgk: 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesCIR ingredient: Hydroxylauric Acid

Use ClassificationCosmetics -> Skin conditioning

応用分野 · 1 件

使用(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.

サプライヤー33 社

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補足説明

定義本品は、次の化学式で表されるヒドロキシ脂肪酸である。

定義ChEBI: 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.