2-ヒドロキシカプリン酸

2-Hydroxydecanoic Acid

HCID 21488
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基本情報

CAS
5393-81-7
標準SMILES
CCCCCCCCC(O)C(=O)O
InChIKey
GHPVDCPCKSNJDR-UHFFFAOYSA-N
分子式
C10H20O3
平均分子量
188.26 g/mol
単同位体質量
188.1412445

概要

2-hydroxydecanoic acid is a medium-chain fatty acid that is decanoic acid substituted at position 2 by a hydroxy group. It is a 2-hydroxy fatty acid and a medium-chain fatty acid. It is functionally related to a decanoic acid. It is a conjugate acid of a 2-hydroxydecanoate.

名称と識別子

優先名称
2-Hydroxydecanoic Acid
IUPAC
2-hydroxydecanoic acid
現地名
2-ヒドロキシカプリン酸
英語名
(±)-2-Hydroxydecanoic acid
分子式
C10H20O3
分子量
188.26

名称と別名

2-HYDROXYDECANOIC ACID5393-81-72-Hydroxycapric acid2-hydroxy capric acid2-hydroxy-decanoic acidalpha-Hydroxydecanoic acidhydroxycapric acidB41993WR8WDTXSID101021248NSC-4801ALPHAMIXT HODA, BG SOL.CHEBI:133172
名称をさらに表示
2-ヒドロキシカプリン酸2-ヒドロキシデカン酸ヒドロキシカプリン酸2‐ヒドロキシデカン酸2-Hydroxydecanoate2-HYDROXY C10:0 ACIDα-Hydroxydecanoic acid2-hydroxy Decylic Acid2- Hydroxydeconoic acid
RefChem:87515DTXCID101506303611-068-1(+/-)-2-Hydroxydecanoic acidDecanoic acid, 2-hydroxy-37639-46-6alpha-Hydroxycapric acidDecanoic acid, hydroxy-

データベース識別子

CAS
5393-81-7
PubChem CID
21488
DTXSID
DTXSID101021248
ChEBI
CHEBI:133172
UNII
B41993WR8W
EC Number
611-068-1
Nikkaji
J111.044F

物性

構造計算による物性

XLogP
3.1
極性表面積
57.5 Ų
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
8
重原子数
13

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 (Hydroxycapric Acid) -> CIR (Cosmetic Ingredient Review)

Skin conditioning

物理化学的性質

融点
70.5 °C · 70.5 °C
沸点
90 · 90-91 °C(Press: 20 Torr)
比重(密度)
1.011 · 1.011±0.06 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C
溶解性
20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; DMSO:PBS (pH 7.2) (1:2): 0.33 mg/ml; Ethanol: 2.5 mg/ml
外見
A crystalline solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 03-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34206
Hazard Classes and CategoriesSkin Corr. 1 (66.7%)

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...Hydroxycapric Acid...

Safe for use in cosmetics, with qualifications

安全データ

wgk
3

化学と産業

用途と製造

UsesCIR ingredient: Hydroxycapric Acid
Use ClassificationCosmetics -> Skin conditioning
応用分野 · 1 件

使用2-Hydroxydecanoic Acid is used in the study of drug absorption by intestinal mucosal enhancement using decanoic acid and it’s derivatives. In the production of quorum sensing inhibitors in growing onion bulbs infected with Pseudomonas aeruginosa E (HQ324110). Studies on part of carboxylic acid found in human blood.

上流・下流製品情報

サプライヤー57 社

北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]

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 medium-chain fatty acid that is decanoic acid substituted at position 2 by a hydroxy group.

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