Docosansure, Monoester mit Glycerin

Glyceryl Monobehenate

HCID 5362585CAS 30233-64-8
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Grundinformationen

Standard-SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
InChIKey
OKMWKBLSFKFYGZ-UHFFFAOYSA-N
Summenformel
C25H50O4
Durchschnittliche Molmasse
414,7 g/mol
Monoisotopische Masse
414,37091008

Überblick

1-behenoylglycerol is a fatty acid ester resulting from the formal condensation of the hydroxy group at position-1 of glycerol with the carboxy group of docosanoic acid. It has a role as an antineoplastic agent and a plant metabolite. It is a fatty acid ester and a 1-monoglyceride. It is functionally related to a glycerol and a docosanoic acid.

Namen und Bezeichner

Bevorzugter Name
Glyceryl Monobehenate
IUPAC
2,3-dihydroxypropyl docosanoate
Lokaler Name
Docosansure, Monoester mit Glycerin
Englischer Name
MONOBEHENIN
Summenformel
C25H50O4
Molmasse
414.66

Namen und Synonyme

2,3-Dihydroxypropyl docosanoate30233-64-8Glyceryl monobehenateBehenic monoglyceridePelemol gmbDocodanoin, mono-A626UU0W2ADocosanoic acid, monoester with 1,2,3-propanetriolBehenic acid monoglycerideRefChem:1085935250-097-077538-19-3
Weitere Namen anzeigen
Glycetyl BehenateMONOBEHENIN1-MONOBEHENINKeMester 6500MONODOCOSANOINDocosanoin, Mono- (7CI)Monostearin Impurity 37Monobehenin, 10 mM in DMSO
6916-74-1glycerol behenateDocosanoic acid, 2,3-dihydroxypropyl esterDocosanoic acid, ester with 1,2,3-propanetriolDocosanoic acid, monoester with glycerol1,2,3-Propanetriol docosanoateGlyceryl tribehenate; Glyceryl tridocosanoate; Lipovol GTBglycerine monobehenate

Datenbank-Bezeichner

CAS
30233-64-8、6916-74-1、77538-19-3
PubChem CID
5362585
DTXSID
DTXSID701015809
ChEBI
CHEBI:142497
UNII
A626UU0W2A
EC Number
250-097-0、278-717-5
Nikkaji
J815.979C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
9,6
Polarare Oberfläche (TPSA)
66,8 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
24
Schwere Atome
29

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid; Other Solid

Physikochemische Eigenschaften

Dichte
0.93 · 0.93[at 20℃]
Dampfdruck
0.001 Pa · 0.001Pa at 25℃
Löslichkeit
Soluble, when heated, in chloroform and dichloromethane and in many organic solvents; slightly soluble in hot ethanol (96%); practically insoluble in cold ethanol (95%), hexane, mineral oil, and water.
Aggregatzustand
A solid
Farbe
White to off-white
Wasserlöslichkeit
100 ng/L · 100ng/L at 25℃

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 100% (126 of 126) of all reports.

Not Classified

Aggregated GHS information provided per 126 reports by companies from 1 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 100% (18 of 18) of all reports.

Not Classified

Aggregated GHS information provided per 18 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 6 Einträge

Chemical: Docosanoic acid, ester with 1,2,3-propanetriol

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

Docosanoic acid, ester with 1,2,3-propanetriol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Docosanoic acid, ester 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 01-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/15864

Other Safety InformationIMAP assessments - Docosanoic acid, monoester with 1,2,3-propanetriol: Environment tier I assessment
Hazard Classes and Categories · 2 Einträge

Not Classified

Not Classified

Sicherheitsdaten

tsca
TSCA listed

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Verwendung und Herstellung

U.S. Production2023: 50,000 - <250,000 lb
Industry UsesDefoamer
General Manufacturing Information · 3 Einträge

All Other Basic Organic Chemical Manufacturing

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

Docosanoic acid, ester with 1,2,3-propanetriol: ACTIVE

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter35 Anbieter

山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]

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