1,3-Dioxolane-4-methanol

HCID 21618

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Basic information

CAS: 5464-28-8
Standard SMILES: OCC1COCO1
InChIKey: BOHGAOWOIJMTPZ-UHFFFAOYSA-N
Molecular formula: C4H8O3
Average molar mass: 104.1 g/mol
Monoisotopic mass: 104.04734412

Overview

condensation product of glycerin & formaldehyde; teratogenic action

Names & identifiers

Preferred name: 1,3-Dioxolane-4-methanol
IUPAC: 1,3-dioxolan-4-ylmethanol
English name: 1,3-Dioxolane-4-methanol
Molecular formula: C4H8O3
Molecular weight: 104.1

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 54.9

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Other Organic Compounds

Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List

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

Physicochemical properties

Melting point: 192 · 192-193°C
Boiling point: 192 · 192-193 °C(lit.)
Density: 1.203 g/mL · 1.203 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.451(lit.)
Flash point: 170 °F · 170 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Liquid
pka: 14.2 · 14.20±0.10(Predicted)
color: Clear
CAS DataBase Reference: 5464 · 5464-28-8(CAS DataBase Reference)
FDA UNII: 45 U46I791 · Q45U46I791
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3
F: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 2 items

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%)

Toxicology

Adverse Effects · 1 item

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.

Safety data

F: 3
wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Hazard statements: H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Uses & manufacturing

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

Applications

Uses1,3-Dioxolane-4-methanol is a condensation product of glycerol and formaldehyde, which has antibacterial properties and can be used as a preservative.