1,4-Dioxane-2,3-diol

C₄H₈O₄CAS 4845-50-5120.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈O₄
Molar mass: 120.10 g/mol
Exact mass: 120.0423 Da
Melting point: 100–130 °C
logP: -1.33Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation89.4% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation87.2% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4845-50-5

SMILES

OC1OCCOC1O

InChIKey

YLVACWCCJCZITJ-UHFFFAOYSA-N

InChI

InChI=1S/C4H8O4/c5-3-4(6)8-2-1-7-3/h3-6H,1-2H2

Weigh it out

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

Names and synonyms

3 names

p-Dioxane-2,3-diol
2,3-Dihydroxy-1,4-dioxane
NSC 57544

Work with 1,4-Dioxane-2,3-diol

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

D-Arabinopyranose28697-53-235 % similar α-D-Xylopyranose31178-70-835 % similar Alpha-D-Xylopyranose6763-34-435 % similar β-L-Arabinopyranose7296-56-235 % similar L-Arabinopyranose87-72-935 % similar 1-Ethoxy-2,2-difluoroethanol148992-43-233 % similar 2-Methyl-1,3-dioxolane497-26-733 % similar 2-Hydroxytetrahydropyran694-54-232 % similar

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

Same formula

Methyl 2-hydroxy-2-methoxyacetate19757-97-2 1,4-Dioxane-2,5-diol23147-58-2 L-Erythrulose533-50-6 Erythrose583-50-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook