Monostearin

HCID 24699CAS 123-94-4

Basic information

Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
InChIKey
VBICKXHEKHSIBG-UHFFFAOYSA-N
Molecular formula
C21H42O4
Average molar mass
358.6 g/mol
Monoisotopic mass
358.30830982

Names & identifiers

Preferred name
Monostearin
IUPAC
2,3-dihydroxypropyl octadecanoate
English name
1,2,3-Propanetriol, homopolymer, isooctadecanoate
Molecular formula
C18H36O2.x(C3H8O3)x
Molecular weight
0

Names & synonyms

Glyceryl monostearateMonostearin31566-31-1Glycerin 1-monostearateGlycerin 1-stearateStearin, 1-mono-Stearic acid 1-monoglyceride1-Glyceryl stearatealpha-MonostearinGlyceryl 1-monostearateStearoylglycerolGlycerin monostearate
Show more names
Polyglycerin-3-triisostearat1,2,3-Propanetriol, homopolymer, isooctadecanoate
3-Stearoyloxy-1,2-propanediolGlycerol alpha-monostearateCerasynt SDMonoglyceryl stearateCefatinDermagineMonelginSedetine

Database identifiers

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

Properties

Computed structural properties

XLogP
7.4
Topological polar surface area
66.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
20
Heavy atoms
25

Experimental & physicochemical properties

Density0.97 @25 °C
Solubility · 2 items

insoluble in water; soluble in hot oils, organic solvents

soluble in hot alcohol (in ethanol)

Physical Description · 4 items

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]

Physicochemical properties

EPA Substance Registry System
1 · 1,2,3-Propanetriol, homopolymer, isooctadecanoate (83138-62-9)
TSCA
TSCA listed

Safety & regulation

GHS classification

GHS Classification · 6 items

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.

Hazard information

Regulatory Information · 6 items

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 · 2 items

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 · 1 item

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 · 2 items

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 · 3 items

Not Classified

Not Classified

Not Classified

Safety & protection

Protective Action Criteria (PAC) · 3 items

0.66 [mg/m3]

7.2 [mg/m3]

43 [mg/m3]

Regulatory information

Regulatory Information · 6 items

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

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

Uses · 1 item

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 · 2 items

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

Consumer UsesLubricating agent;Dispersing agent;Anti-caking agent;Insulators;Anti-adhesive/cohesive;Processing aids not otherwise specified;Surfactant (surface active agent);Not Known or Reasonably Ascertainable;Emulsifier;Anti-static agent
Industry UsesAnti-static agent;Not Known or Reasonably Ascertainable;Emulsifier;Plasticizer;Surfactant (surface active agent);Processing aids not otherwise specified;Lubricating agent;Other;Anti-adhesive/cohesive;Dispersing agent;Anti-caking agent
Household ProductsInformation on 51 consumer products that contain Glyceryl monostearate in the following categories is provided:;• Personal Care
Use Classification · 6 items

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

Suppliers50 total

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
河北创之源生物科技有限公司13012111162
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
上海光铧科技有限公司13801626616 · [email protected]

Additional notes

DefinitionChEBI: 1-monostearoylglycerol is a 1-monoglyceride that has stearoyl as the acyl group. It has a role as an algal metabolite and a Caenorhabditis elegans metabolite.

Related reactions

19 records

Linked notes

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