1,3-Dioxolan-4-ylmethanol

1,3-Dioxolane-4-methanol

HCID 21618CAS 5464-28-8

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Grundinformationen

Standard-SMILES: OCC1COCO1
InChIKey: BOHGAOWOIJMTPZ-UHFFFAOYSA-N
Summenformel: C4H8O3
Durchschnittliche Molmasse: 104,1 g/mol
Monoisotopische Masse: 104,04734412

Überblick

condensation product of glycerin & formaldehyde; teratogenic action

Namen und Bezeichner

Bevorzugter Name: 1,3-Dioxolane-4-methanol
IUPAC: 1,3-dioxolan-4-ylmethanol
Lokaler Name: 1,3-Dioxolan-4-ylmethanol
Englischer Name: 1,3-Dioxolane-4-methanol
Summenformel: C4H8O3
Molmasse: 104.1

Namen und Synonyme

5464-28-81,3-DIOXOLANE-4-METHANOLGlycerin formalNSC-15827Q45U46I791glycerinformaleMETHYLIDINOGLYCEROLRefChem:663465GLYCEROL FORMAL, ALPHA,BETA226-758-43L7GR2604E86687-05-0

Weitere Namen anzeigen

3-Dioxolane-4-methanolglycerinformal(1,3-Dioxolan-4-yl)METHYLIDENEGLYCEROLglycerolalpha-formalGlycerol formal, 99+%1,3-Dioxolan-4-methanol

Glycerol formal(1,3-Dioxolan-4-yl)methanol1,3-Dioxolan-4-ylmethanolSericosol-N4-(Hydroxymethyl)-1,3-dioxolaneMFCD00003218Glycerol, 1,2-O-methylene-4-hydroxymethyl-1,3-dioxolan

Datenbank-Bezeichner

CAS: 5464-28-8
PubChem CID: 21618
DTXSID: DTXSID10863547
UNII: Q45U46I791
EC Number: 226-758-4
Nikkaji: J615G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,8
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 54,9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Organic Compounds

Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List

Physical DescriptionColorless liquid; Hygroscopic; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 192 · 192-193°C
Siedepunkt: 192 · 192-193 °C(lit.)
Dichte: 1.203 g/mL · 1.203 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.451(lit.)
Flammpunkt: 170 °F · 170 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: Liquid
pka: 14.2 · 14.20±0.10(Predicted)
Farbe: Clear
CAS Datenbank: 5464 · 5464-28-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1,3-Dioxolane-4-methanol

Glycerol formal: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryTeratogenic effects observed in rats; [REPROTOX] Causes sleep and excitement in oral lethal-dose studies of mice; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See Formaldehyde and Glycerin.

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Toxikologische Informationen

Adverse Effects · 1 Eintrag

Reproductive Toxin - A chemical that is toxic to the reproductive system, including defects in the progeny and injury to male or female reproductive function. Reproductive toxicity includes developmental effects. See Guidelines for Reproductive Toxicity Risk Assessment.

Sicherheitsdaten

F: 3
wgk: 3
safety_code: 23-24/25

Chemie und Industrie

Verwendung und Herstellung

UsesCondensation product of glycerin & formaldehyde; teratogenic action. [ChemIDplus]

Anwendungen

Verwenden1,3-Dioxolane-4-methanol is a condensation product of glycerol and formaldehyde, which has antibacterial properties and can be used as a preservative.