Monostearin
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
123-94-4- 標準SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO- InChIKey
VBICKXHEKHSIBG-UHFFFAOYSA-N- 分子式
- C21H42O4
- 平均分子量
- 358.6 g/mol
- 単同位体質量
- 358.30830982
概要
1-monostearoylglycerol is a 1-monoglyceride that has stearoyl as the acyl group. It has a role as a Caenorhabditis elegans metabolite and an algal metabolite.
名称と識別子
- 優先名称
- Monostearin
- IUPAC
- 2,3-dihydroxypropyl octadecanoate
- 英語名
- 1,2,3-Propanetriol, homopolymer, isooctadecanoate
- 分子式
- C18H36O2.x(C3H8O3)x
- 分子量
- 0
名称と別名
Glyceryl monostearateMonostearin31566-31-1Glycerin 1-stearateStearin, 1-mono-Glycerin 1-monostearateStearic acid 1-monoglyceride1-Glyceryl stearatealpha-MonostearinStearoylglycerolGlyceryl 1-monostearateGlycerin monostearate
名称をさらに表示
Polyglycerin-3-triisostearat1,2,3-Propanetriol, homopolymer, isooctadecanoate
3-Stearoyloxy-1,2-propanediolCerasynt SDMonoglyceryl stearateGlycerol alpha-monostearateCefatinDermagineMonelginSedetine
データベース識別子
- CAS
123-94-4、14811-92-8、22610-63-5、31566-31-1、83138-62-9、85666-92-8、91052-47-0- PubChem CID
- 24699
- DTXSID
DTXSID7029160- ChEMBL
CHEMBL255696- ChEBI
CHEBI:75555- UNII
- 258491E1RZ
- EC Number
- 204-664-4、245-121-1、250-705-4、293-208-8、617-739-5
- Nikkaji
- J10.136B
物性
構造計算による物性補完中
- XLogP
- 7.4
- 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
- 20
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 281
実験および物理化学的性質
Chemical ClassesOther Classes -> Stearates
LipidsLipids -> Glycerolipids [GL] -> Monoradylglycerols [GL01] -> Monoacylglycerols [GL0101]
CosmeticsEmulsifying; Emollient
SurfactantsSurfactant
Food AdditivesEMULSIFIER OR EMULSIFIER SALT, FIRMING AGENT, FLAVOR ENHANCER, LUBRICANT OR RELEASE AGENT, MASTICATORY SUBSTANCE, TEXTURIZER -> FDA Substance added to food
Density0.97 @25 °C
Solubility
insoluble in water; soluble in hot oils, organic solvents
soluble in hot alcohol (in ethanol)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Dry Powder; Liquid; Other Solid; Dry Powder; Large Crystals; CBI; Large Crystals; Other Solid; Dry Powder
Large Crystals
White waxy solid; [Merck Index]
white to pale yellow wax-like solid with a mild fatty odour
Collision Cross Section201.2 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7029160]
物理化学的性質
- EPAの化学物質情報
- 1 · 1,2,3-Propanetriol, homopolymer, isooctadecanoate (83138-62-9)
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 99.6% (708 of 711) of all reports.
Not Classified
Aggregated GHS information provided per 711 reports by companies from 5 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (428 of 428) of all reports.
Not Classified
Aggregated GHS information provided per 428 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Octadecanoic acid, 2,3-dihydroxypropyl ester
Chemical: Octadecanoic acid, monoester with 1,2,3-propanetriol
Octadecanoic acid, monoester with 1,2,3-propanetriol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoic 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)
Octadecanoic acid, 2,3-dihydroxypropyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoic acid, 2,3-dihydroxypropyl ester 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: Glycerides, C16-18 mono- (EC: 293-208-8)
REACH registered substance: Stearic acid, monoester with glycerol (EC: 250-705-4)
Other Safety Information
IMAP assessments - Octadecanoic acid, 2,3-dihydroxypropyl ester: Human health tier I assessment
IMAP assessments - Octadecanoic acid, monoester with 1,2,3-propanetriol: Human health tier I assessment
Hazards Summary
Intraperitoneal LD50 (mouse) = 200 mg/kg; [RTECS] Product of commerce is a variable mixture of glyceryl monostearate and glyceryl monopalmitate; [Merck Index] Safe when used as a flavoring agent in food; [JECFA] May cause irritation; [Alfa Aesar MSDS]
EPA Safer Chemical
Chemical: Glyceryl monostearate
Chemical: Glyceryl monostearate
Hazard Classes and Categories
Not Classified
Not Classified
Not Classified
安全と保護具
Protective Action Criteria (PAC)
0.66 [mg/m3]
7.2 [mg/m3]
43 [mg/m3]
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
Uses
Used as a pharmaceutical aid; [Merck Index] Permitted for use as an inert ingredient in non-food pesticide products; [EPA] Used as an emulsifier, firming agent, flavor enhancer, lubricant or release agent, masticatory substance, and texturizer for foods; [FDA]
U.S. Production
2023: 4,000,000 - <5,500,000 lb
2023: 125,399 lb
Consumer UsesLubricating agent
Industry UsesAnti-static agent
Household ProductsInformation on 51 consumer products that contain Glyceryl monostearate in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
Plastics Product Manufacturing
Octadecanoic acid, 2,3-dihydroxypropyl ester: ACTIVE
Octadecanoic acid, monoester with 1,2,3-propanetriol: ACTIVE
関連反応
19 件
化合物ノート
読み込み中…