モノカプリリン

Glyceryl 1-monooctanoate

HCID 3033877

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

502-54-5Monoctanoin1-MonocaprylinGlyceryl 1-Monooctanoatealpha-Monocaprylin1-MonooctanoinDL-1-MonooctanoinGlyceryl 1-caprylateOctanoic Acid 1-Monoglyceride1-Monocapryloyl-rac-glycerolOctanoic acid, 2,3-dihydroxypropyl esterGLYCEROL 1-OCTANOATE
名称をさらに表示
モノカプリリン1-O-カプリロイルグリセロールβ-モノカプリリンカプリル酸モノグリセリドセフソール318モノカプリルグリセリドオクタン酸と1,2,3-プロパントリオールのモノエステル1-O-オクタノイルグリセロールカプリル酸2,3-ジヒドロキシプロピルモノオクタノインα-モノカプリリングリセロールα-モノカプリラート1-O-オクタノイルグリセリンドリュームルスCAオクタン酸2,3-ジヒドロキシプロピルカプリル酸/グリセリン,(1:1)1-モノオクタノイルグリセロールポエムM-100グリセリンモノカプリラートサンソフト700p2octyl and decyl glycerateGlycerylcaprylateGLYCEROL MONOCAPRYLATE1-MONOOCTANOYL GLYCEROLOCTANOINPoem M-100Sefsol 318monooctanoinDrewmulse CA
Glyceryl-1-caprylateMCF579Z59BRefChem:922333VFU0OU98LO610-514-2Monocaprylin2,3-dihydroxypropyl octanoate26402-26-6

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

実験および物理化学的性質

Cosmetics · 2 件

Cosmetic ingredients (Glyceryl Caprylate) -> CIR (Cosmetic Ingredient Review)

Emulsifying; Emollient

Human Drugs · 2 件

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Physical DescriptionLiquid

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)

安全と法規制

GHS分類

GHS Classification · 3 件

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 · 5 件

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.

Other Safety InformationIMAP assessments - Octanoic acid, monoester with 1,2,3-propanetriol: Human health tier I assessment
EPA Safer ChemicalChemical: Octanoic acid, monoester with 1,2,3-propanetriol
Hazard Classes and CategoriesNot Classified

毒性情報

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

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

UsesCIR ingredient: Glyceryl Caprylate
U.S. Production2023: 32,428 lb
Consumer UsesEmulsifier
Industry UsesEmulsifier
Household ProductsInformation on 12 consumer products that contain Glyceryl Caprylate in the following categories is provided:
Use Classification · 3 件

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

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

サプライヤー45 社

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]

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

2 件

化合物ノート

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