基本情報
- CAS
1679-53-4- 標準SMILES
O=C(O)CCCCCCCCCO- InChIKey
YJCJVMMDTBEITC-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
10-hydroxycapric acid is a 10-carbon, -hydroxy fatty acid, shown to be the preferred hydroxylation product (together with the 9-OH isomer) of capric acid in biosystems, and used as a standard in lipid assays; reported to have cytotoxic effects. It is an omega-hydroxy-medium-chain fatty acid and a straight-chain saturated fatty acid. It is functionally related to a decanoic acid. It is a conjugate acid of a 10-hydroxycaprate.
名称と識別子
- 優先名称
- 10-Hydroxydecanoic Acid
- IUPAC
- 10-hydroxydecanoic acid
- 現地名
- 10-ヒドロキシデカン酸
- 英語名
- 10-Hydroxydecanoic acid
- 分子式
- C10H20O3
- 分子量
- 188.26
名称と別名
10-Hydroxydecanoic acid1679-53-410-hydroxycapric acid10-hydroxy-decanoic acidNP03XO416BNSC-15139CHEBI:17409DTXSID10168428RefChem:7753310HDA CPD10-HDAA CPDDTXCID5090919
名称をさらに表示
10-ヒドロキシデカン酸10-ヒドロキシカプリン酸10‐ヒドロキシデカン酸ヒドロキシデカン酸ω-ヒドロキシデカン酸10-hydroxycapricaci10-Hydroxycapricacid1-Hydroxydecanoic acid10-HYDROXY-DECYLIC ACID10-HYDROXYDECANOIC ACID 95%10-Hydroxydecanoic acid, 95+%E－10－hydroxy－2－decylennic acid
216-848-110-HydroxydecanoateDecanoic acid, 10-hydroxy-10-HydroxydecanoicAcidMFCD00010510NSC 1513910-hydroxy capric acidCHEMBL4519263
データベース識別子
- CAS
1679-53-4、27925-00-4- PubChem CID
- 74300
- DTXSID
DTXSID10168428
物性
構造計算による物性
- XLogP
- 2.5
- 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
- 9
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 123
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
CosmeticsCosmetic ingredients (10-Hydroxydecanoic Acid) -> CIR (Cosmetic Ingredient Review)
Collision Cross Section
151 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
151.2 Ų [M+Na]+
物理化学的性質
- 融点
- 75 · 75-77 °C (lit.)
- 沸点
- 330.8 · 330.8±15.0 °C(Predicted)
- 比重(密度)
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- クロロホルム（微量）、メタノール（微量）
- 酸解離定数(Pka)
- 4.78 · 4.78±0.10(Predicted)
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- 化粧品成分の機能
- スキンコンディショニング
- InChI
- InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)
- InChIKey
- YJCJVMMDTBEITC-UHFFFAOYSA-N
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 82.1% (23 of 28) of all reports.
Warning
H315 (17.9%): Causes skin irritation [Warning Skin corrosion/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 28 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (17.9%)
毒性情報
Toxicity Summary
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...10-Hydroxydecanoic Acid...
Safe for use in cosmetics, with qualifications
安全データ
- wgk
- 3
- hs_code
- 2918199890
- hazard_code
- Xi
- hazard_note
- Irritant
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
UsesCIR ingredient: 10-Hydroxydecanoic Acid
応用分野
使用10-Hydroxydecanoic acid is suitable for use in a study on Novozym 435-catalyzed condensation polymerization of cis-9,10-epoxy-18-hydroxyoctadecanoic acid and its comparison with corresponding polymerization of 10-hydroxydecanoic acid.
一般的な説明10-Hydroxydecanoic acid (10-HDA) is a saturated fatty acid of hydroxy-trans-2-decenoic acid (10H2DA). Its molecule has two functional groups (-OH and -COOH). It has been reported to prevent the lipopolysaccharide-induced NO production in murine macrophages. 10-HDA has been extracted from royal jelly obtained from honeybees (Apis mellifera) and exhibits estrogenic action. Its polymerization with the polyethylene glycol-modified lipase in a transparent benzene solution has been reported to proceed by the formation of ester linkage.
上流・下流製品情報
上流原料
下流製品
関連反応
15 件
化合物ノート
読み込み中…