CAS 2277-23-8 1-Decanoylglycerol (HCID 92926)

概要

1-monodecanoylglycerol is a 1-monoglyceride that has decanoyl (capryl) as the acyl group. It is a 1-monoglyceride and a monodecanoylglycerol.

名称と識別子

優先名称: 1-Decanoylglycerol
IUPAC: 2,3-dihydroxypropyl decanoate
現地名: 1-デカノイル-RAC-グリセロール
英語名: MONOCAPRIN
分子式: C13H26O4
分子量: 246.34

名称と別名

2277-23-8Glyceryl caprate1-Decanoyl-rac-glycerol1-decanoylglycerolMonodecanoinDecanoin, mono-Glyceryl 1-caprateGlyceryl-1-caprate197M6VFC1W1,2,3-PROPANETRIOL DECANOIC ACID MONOESTERRefChem:6634932,3-Dihydroxypropyl decanoate

名称をさらに表示

1-デカノイル-RAC-グリセロールα-モノカプリンカプロン酸グリセリル1-デカノイルグリセロールカプリン酸1-デオキシグリセロール-1-イル1-O-デカノイルグリセロールグリセロールα-モノカプラートグリセロール1-デカノアート1-O-デカノイルグリセリンカプリン酸2,3-ジヒドロキシプロピル2,3-ジヒドロキシプロピルデカノアート1-O-カプリノイルグリセロール1-O-カプリルグリセロールデカン酸2,3-ジヒドロキシプロピルグリセリン1-カプラート1-モノカプリン1-モノカプラートグリセロール1-デカノイルグリセリドDECANOINalpha-Monocaprin50-60% ON ALPHA)Glycerin capratebeta-1-Monocaprin1-MONODECANOYL GLYCEROL

MONOCAPRIN26402-22-2Glyceryl monocaprateDecanoic acid, 2,3-dihydroxypropyl ester1-MonocaprinMONOCTANOIN COMPONENT BDecanoin, 1-mono-Decanoic acid monoglyceride

データベース識別子

CAS: 2277-23-8、26402-22-2
PubChem CID: 92926
DTXSID: DTXSID40891378
ChEMBL: CHEMBL1595008
ChEBI: CHEBI:75547
UNII: 197M6VFC1W
EC Number: 247-667-6、886-775-3
Nikkaji: J102.875H

物性

構造計算による物性

XLogP: 3.1
極性表面積: 66.8 Å²
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: 12
重原子数: 17
形式電荷: 0
複雑度: 182

実験および物理化学的性質

Cosmetics · 2 件

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

Emollient

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionLiquid

物理化学的性質

融点: 51.4 °C · 51.4 °C
沸点: 309.35 °C · 309.35°C (rough estimate)
比重(密度): 0.974 · 0.9740 (rough estimate)
屈折率: 1.428 · 1.4280 (estimate)
貯蔵温度: -20 °C · -20°C
溶解性: Chloroform: soluble
外見: A liquid
酸解離定数(Pka): 13.16 · 13.16±0.20(Predicted)
色: White to off-white
由来生物: synthetic (organic)
InChI: 1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,14-15H,2-11H2,1H3
InChIKey: LKUNXBRZDFMZOK-UHFFFAOYSA-N
SMILES: O=C(OCC(O)CO)CCCCCCCCC
CAS データベース: 2277 · 2277-23-8

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.

Not Classified

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.

Warning

H315 (100%): 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)

危険有害性情報

Regulatory Information · 4 件

Chemical: Decanoic acid, monoester with 1,2,3-propanetriol

Decanoic acid, monoester with 1,2,3-propanetriol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Decanoic 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: Decanoic acid, monoester with glycerol (EC: 247-667-6)

Glyceryl monocaprate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Decanoic acid, monoester with 1,2,3-propanetriol: Human health tier I assessment

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: 1
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesCIR ingredient: Glyceryl Caprate

U.S. Production2023: 20,438 lb

Consumer UsesEmulsifier

Industry UsesEmulsifier

Use ClassificationCosmetics -> Emollient

General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing

Decanoic acid, monoester with 1,2,3-propanetriol: ACTIVE

応用分野

使用1-Decanoyl-rac-glycerol is a monoacylglyecrol with antibacterial activity. Studies show that 1-Decanoyl-rac-glycerol maybe potential apoptotic agents in T-cells.

一般的な説明1-Decanoyl-rac-glycerol is a food additive, widely used as a functional emulsifier in food industry. It exhibits a broad-spectrum of activity against a variety of food-borne bacteria, fungi and viruses.

上流・下流製品情報

上流原料

下流製品

1,2-DIDECANOYL-SN-GLYCEROL トリカプリン

サプライヤー100 社

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郑州阿尔法化工有限公司+86-18530059196 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

化合物ノート

読み込み中…

1-デカノイル-RAC-グリセロール

基本情報

概要