1,3-Dioxolane-4-methanol

C4H8O3CAS 5464-28-8104.11 g/mol

Open in Covalent MOL file
HOOO
AcetalAlcoholEther

Properties

Molecular formula
C4H8O3
Molar mass
104.11 g/mol
Exact mass
104.0473 Da
Density
1.2113 g/mL (at 20 °C)
Boiling point
84–85 °C (at 11 Torr)
logP
-0.65Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 74 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
5464-28-8
SMILES
OCC1COCO1
InChIKey
BOHGAOWOIJMTPZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O3/c5-1-4-2-6-3-7-4/h4-5H,1-3H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • Glycerol α-formal
  • 4-(Hydroxymethyl)-1,3-dioxolane
  • 1,2-(Methylidene)glycerol
  • Glycerol formal
  • 1,3-Dioxolane-5-methanol
  • Glycerin formal
  • (1,3-Dioxolan-4-yl)methanol
  • NSC 15827

Work with 1,3-Dioxolane-4-methanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(2S)-1,4-Dioxane-2-methanol406913-93-761 % similar Glycidol556-52-560 % similar (+)-Glycidol57044-25-460 % similar (-)-Glycidol60456-23-760 % similar Hydroxymethyl-18-crown-670069-04-458 % similar 2-Hydroxymethyl-15-crown-575507-25-458 % similar 1,4,7,10-Tetraoxacyclododecane-2-methanol75507-26-558 % similar 2-Hydroxymethyloxetane61266-70-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(+)-Methyl lactate17392-83-5 (S)-(-)-2-Methoxypropionic acid23953-00-6 (-)-Methyl lactate27871-49-4 Beta-hydroxybutyric acid300-85-6 (S)-2-Hydroxybutyric acid3347-90-8 Erythritan4358-64-9 1,3-Dioxan-5-ol4740-78-7 2,2-Dimethoxyacetaldehyde51673-84-8

Elsewhere

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