4-Hydroxymethyl-1,3-dioxolan-2-on

Glycerol carbonate

HCID 97944

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Grundinformationen

CAS: 931-40-8
Standard-SMILES: O=C1OCC(CO)O1
InChIKey: JFMGYULNQJPJCY-UHFFFAOYSA-N
Summenformel: C4H6O4
Durchschnittliche Molmasse: 118,09 g/mol
Monoisotopische Masse: 118,02660867

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: Glycerol carbonate
IUPAC: 4-(hydroxymethyl)-1,3-dioxolan-2-one
Lokaler Name: 4-Hydroxymethyl-1,3-dioxolan-2-on
Englischer Name: 4-Hydroxymethyl-1,3-dioxolan-2-one
Summenformel: C4H6O4
Molmasse: 118.09

Namen und Synonyme

931-40-81,3-Dioxolan-2-one, 4-(hydroxymethyl)-4-Hydroxymethyl-1,3-dioxolan-2-onehydroxymethyl dioxolanoneglycerol carbonateC15K4UUJ1EMACKADERM GCDTXSID90862477NSC-60535JEFFSOL GLYCERINE CARBONATERefChem:414855DTXCID00811234

Weitere Namen anzeigen

Glycerine carbonateGlycerincarbonateGLYCERYL CARBONATEGlycerolCarbonate70%Glycerol Carbonate 70%Glycerol1,2-Carbonate>1-O,2-O-Carbonylglycerol

213-235-04-(Hydroxymethyl)-1,3-dioxolan-2-oneGlycerol 1,2-CarbonateMFCD000855614-hydroxymethyl-[1,3]dioxolan-2-oneUNII-C15K4UUJ1EEINECS 213-235-0AI3-22904

Datenbank-Bezeichner

CAS: 931-40-8
PubChem CID: 97944
DTXSID: DTXSID90862477
UNII: C15K4UUJ1E
EC Number: 213-235-0
Nikkaji: J38.319H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,5
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 100

Physikochemische Eigenschaften

Siedepunkt: 137 · 137-140 °C/0.5 mmHg (lit.)
Dichte: 1.4 g/mL · 1.4 g/mL at 25 °C (lit.)
Dampfdruck: 0.93 Pa · 0.93Pa at 25℃
Brechungsindex: 20 · n20/D 1.469(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in water
pka: 13.71 · 13.71±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to pale yellow
Wasserlöslichkeit: 1000 g/L · 1000g/L at 24℃
Kosmetik-Inhaltsstoffe Funktionen: SOLVENT
InChI: InChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2
InChIKey: JFMGYULNQJPJCY-UHFFFAOYSA-N
SMILES: O1CC(CO)OC1=O
LogP: -1.39 at · -1.39 at 25℃
EPA chemische Informationen: 1 · 1,3-Dioxolan-2-one, 4-(hydroxymethyl)- (931-40-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 99.2% (121 of 122) of all reports.

Not Classified

Aggregated GHS information provided per 122 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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

Status: Active Update: 07-01-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/5622

EPA Safer ChemicalChemical: 4-Hydroxymethyl-1,3-dioxolan-2-one

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
hs_code: 29329990
safety_code: 23
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

Use Classification · 2 Einträge

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern

General Manufacturing Information1,3-Dioxolan-2-one, 4-(hydroxymethyl)-: ACTIVE

Anwendungen

Verwenden4-(Hydroxymethyl)-1,3-dioxolan-2-one is used in method of finishing a metallic surface.

Darstellung · 1 Eintrag

synthetischeA stirred mixture of potassium hydrogen carbonate (10.0 g, 0.1 mol), 18-crown-6 (0.2 g, 0.76 mmol), and 1-chloro-2,3-epoxypropane (27.6 g, 0.3 mol) was heated at 80℃ for 36 h. After cooling and removal of the potassium salt by filtration, the organic layer was washed with water and 991 was distilled at 152–160℃/0.6–0.8 mmHg; yield 4.83 g (41%).