基本情報
- 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
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
名称をさらに表示
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
- 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
Solubility
insoluble in water; soluble in hot oils, organic solvents
soluble in hot alcohol (in ethanol)
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
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
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 99.6% (708 of 711) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 708 of 711 companies (only 0.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 711 reports by companies from 5 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 708 of 711 reports by companies.;There are 3 notifications provided by 3 of 711 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
This chemical does not meet GHS hazard criteria for 100% (428 of 428) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 428 of 428 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 428 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 428 of 428 reports by companies.;There are 0 notifications provided by 0 of 428 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
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)
Status: Active Update: 03-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/14699
Status: Active Update: 23-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/2133
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;IMAP assessments - Octadecanoic acid, monoester with 1,2,3-propanetriol: Environment 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; Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.
Chemical: Glyceryl monostearate; Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.
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]
法規制情報
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)
Status: Active Update: 03-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/14699
Status: Active Update: 23-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/2133
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;2022: 7,000,000 - <8,500,000 lb;2021: 7,000,000 - <8,500,000 lb;2020: 5,500,000 - <7,000,000 lb
2023: 125,399 lb;2022: 335,698 lb
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;Soap, Cleaning Compound, and Toilet Preparation Manufacturing;Custom Compounding of Purchased Resins;Rubber Product Manufacturing;Other (requires additional information);All Other Basic Organic Chemical Manufacturing;All Other Chemical Product and Preparation Manufacturing;Not Known or Reasonably Ascertainable;Paint and Coating Manufacturing;Plastics Material and Resin Manufacturing
Octadecanoic acid, 2,3-dihydroxypropyl ester: ACTIVE
Octadecanoic acid, monoester with 1,2,3-propanetriol: ACTIVE
サプライヤー50 社
関連反応
関連ノート
読み込み中…