chempirical

Dioxolane

C3H6O2CAS 646-06-074.08 g/mol

Open in Covalent MOL file
OO
AcetalEther

Properties

Molecular formula
C3H6O2
Molar mass
74.08 g/mol
Exact mass
74.0368 Da
Density
1.06 g/mL (at 20 °C)
Melting point
−95 °C
Boiling point
78 °C (at 765 Torr)
Flash point
1.7 °C (open cup)
Water solubility
miscible
logP
-0.01Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
646-06-0
SMILES
C1COCO1
InChIKey
WNXJIVFYUVYPPR-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2

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Names and synonyms

9 names
  • 1,3-Dioxolane
  • 1,3-Dioxole, dihydro-
  • Formal glycol
  • Glycolformal
  • 1,3-Dioxolan
  • 1,3-Dioxacyclopentane
  • Ethylene glycol formal
  • 5-Crown-2
  • DIOX

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 646-06-0. Each row opens the sheet with its composition and PDF.

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Work with Dioxolane

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

2,5,7,10-Tetraoxaundecane4431-83-857 % similar 1,3,5-Trioxane110-88-356 % similar 1,4-Dioxane123-91-156 % similar 18-Crown-617455-13-956 % similar 12-Crown-4294-93-956 % similar 15-Crown-533100-27-556 % similar Ethylene oxide75-21-856 % similar Bis(2-chloroethoxy)methane111-91-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl formate109-94-4 Hydroxyacetone116-09-6 Reuterin2134-29-4 Glycidol556-52-5 (+)-Glycidol57044-25-4 (-)-Glycidol60456-23-7 Oxetan-3-ol7748-36-9 Propionic acid79-09-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia