基本情報
- CAS
26402-26-6- 標準SMILES
CCCCCCCC(=O)OCC(O)CO- InChIKey
GHBFNMLVSPCDGN-UHFFFAOYSA-N- 分子式
- C11H22O4
- 平均分子量
- 218.29 g/mol
- 単同位体質量
- 218.15180918
概要
1-monooctanoylglycerol is a 1-monoglyceride that has octanoyl as the acyl group. It is a 1-monoglyceride and an octanoate ester.
名称と識別子
- 優先名称
- Glyceryl 1-monooctanoate
- IUPAC
- 2,3-dihydroxypropyl octanoate
- 現地名
- モノカプリリン
- 英語名
- MONOCAPRYLIN
- 分子式
- C11H22O4
- 分子量
- 218.29
名称と別名
名称をさらに表示
データベース識別子
- CAS
26402-26-6、502-54-5- PubChem CID
- 3033877
- DTXSID
DTXSID6048383- ChEMBL
CHEMBL1570482- ChEBI
CHEBI:85241- UNII
- MCF579Z59B
- EC Number
- 247-668-1、610-514-2
- Nikkaji
- J118.316H
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 66.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 10
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 159
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Glyceryl Caprylate) -> CIR (Cosmetic Ingredient Review)
Emulsifying; Emollient
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
物理化学的性質
- 融点
- 39 to · 39.0 to 43.0 °C
- 沸点
- 296 ℃[at · 296℃[at 101 325 Pa]
- 比重(密度)
- 1.024 · 1.024[at 20℃]
- 蒸気圧
- 0.001 Pa · 0.001Pa at 25℃
- 貯蔵温度
- 20 °C · −20°C
- 溶解性
- 100 mg/mL · DMSO : 100 mg/mL (458.11 mM)
- 外見
- powder to lump
- 色
- White to Orange to Green
- 水溶解度
- 330 g/L · 330g/L at 20℃
- Merck
- 14 · 14,6252
- 化粧品成分の機能
- 皮膚コンディショニング剤 - 保湿剤デオドラント界面活性剤 - 乳化剤
- LogP
- 1.71 at · 1.71 at 25℃
- EPAの化学物質情報
- Glyceryl monooctanoate (26402-26-6)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 95.8% (113 of 118) of all reports.
Not Classified
Aggregated GHS information provided per 118 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Octanoic acid, monoester with 1,2,3-propanetriol
Octanoic acid, monoester with 1,2,3-propanetriol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanoic acid, monoester with 1,2,3-propanetriol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Octanoic acid, monoester with glycerol (EC: 247-668-1)
Octanoic acid, monoester with 1,2,3-propanetriol: Does not have an individual approval but may be used under an appropriate group standard
Octanoic acid, 2,3-dihydroxypropyl ester: 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.
毒性情報
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29159000
- 化審法
- (2)-669
化学と産業
用途と製造
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
Cosmetics -> Emulsifying; Emollient
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Octanoic acid, monoester with 1,2,3-propanetriol: ACTIVE
応用分野
使用Monocaprylin is used in preparation of Citric Acid mixed grease plasticizer.Also, It is an active agent for skin and hair care with pysicochemistry modifying properties.
上流・下流製品情報
上流原料
サプライヤー45 社
補足説明
定義本品は、カプリル酸とグリセリン(*)のモノエステルである。参照表示名称:グリセリン
関連反応
化合物ノート
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