2-ヒドロキシ-n-オクタン酸

Hydroxycaprylic Acid

HCID 94180CAS 617-73-2
部分構造検索類似構造を探す

基本情報

標準SMILES
CCCCCCC(O)C(=O)O
InChIKey
JKRDADVRIYVCCY-UHFFFAOYSA-N
分子式
C8H16O3
平均分子量
160.21 g/mol
単同位体質量
160.10994437

名称と識別子

優先名称
Hydroxycaprylic Acid
IUPAC
2-hydroxyoctanoic acid
現地名
2-ヒドロキシ-n-オクタン酸
英語名
2-Hydroxycaprylic acid
分子式
C8H16O3
分子量
160.21

名称と別名

2-Hydroxyoctanoic acid617-73-22-Hydroxycaprylic acidhydroxycaprylic acidOctanoic acid, 2-hydroxy-alpha-Hydroxycaprylic acidalpha-Hydroxyoctanoic acidDL-2-Hydroxyoctanoic acidDL-2-Hydroxycaprylic acid.alpha.-Hydroxycaprylic acid0R6X0G0S8A.alpha.-Hydroxy-n-caprylic acid
名称をさらに表示
2-ヒドロキシ-n-オクタン酸2-ヒドロキシオクタン酸2-ヒドロキシカプリル酸α-ヒドロキシオクタン酸ヒドロキシカプリル酸2-ヒドロキシオクタン酸, 98+%(±)-2-ヒドロキシオクタン酸Hydroxyoctanoic acid2-HYDROXY-N-OCTANOIC ACIDHSDB 83132-hydroxyoctanoate2-hydroxyoctanoicaciA-HYDROXYCAPRYLIC ACID
EINECS 210-524-3NSC 189703NSC-189703alpha-Hydroxy-n-caprylic acidCHEBI:86543DTXSID80862300alpha-HCA acidRefChem:789453

データベース識別子

CAS
617-73-2
PubChem CID
94180
DTXSID
DTXSID80862300
ChEMBL
CHEMBL4447980
ChEBI
CHEBI:86543
UNII
0R6X0G0S8A
EC Number
210-524-3
Nikkaji
J94.836E

物性

構造計算による物性

XLogP
2
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
6
重原子数
11

実験および物理化学的性質

Solubility927 mg/mL
Melting Point70 °C
Physical DescriptionSolid

物理化学的性質

融点
66 · 66-68 °C
沸点
226.12 °C · 226.12°C (rough estimate)
比重(密度)
1.0227 · 1.0227 (rough estimate)
屈折率
1.431 · 1.4310 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
クロロホルム（少量）、メタノール（少量）

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationOctanoic acid, 2-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

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...Hydroxycaprylic Acid...

Safe for use in cosmetics, with qualifications

法規制情報

Regulatory InformationOctanoic acid, 2-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

wgk
3
hs_code
2918.19.9000
risk_code
36/37/38
化審法
(2)-1340
hazard_code
Xi
safety_code
26-36

化学と産業

用途と製造

UsesCIR ingredient: Hydroxycaprylic Acid
Household ProductsInformation on 3 consumer products that contain Hydroxycaprylic Acid in the following categories is provided:；• Personal Care
Use ClassificationCosmetics -> Skin conditioning

調製方法

純化方法Crystallise the acid from EtOH/pet ether or ether/ligroin. [Beilstein 3 IV 873.]

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [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 hydroxy fatty acid that is caprylic (octanoic) acid substituted by a hydroxy group at position 2.

関連反応

14 件
反応記録を作成

関連ノート

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