Diepoxybutane

C₄H₆O₂CAS 1464-53-586.09 g/mol

Open in Covalent MOL file

Epoxide Ether

Properties

Molecular formula: C₄H₆O₂
Molar mass: 86.09 g/mol
Exact mass: 86.0368 Da
Density: 0.96 g/mL
Melting point: −19 °C
Boiling point: 138 °C
Flash point: 45.6 °C
Water solubility: ≥ 100 g/L (19.5 °C)
logP: -0.22Crippen estimate
Polar surface area: 25.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H330 Fatal if inhaledAcute toxicity, inhalation
H340 May cause genetic defectsGerm cell mutagenicity
H350 May cause cancerCarcinogenicity

Harmonised EU classification (CLP Annex VI, index 603-060-00-1), via PubChem.

Precautionary statements

P203, P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P320, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

1464-53-5

SMILES

C1OC1C1CO1

InChIKey

ZFIVKAOQEXOYFY-UHFFFAOYSA-N

InChI

InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2

Weigh it out

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

Names and synonyms

14 names · show all

2,2′-Bioxirane
Butane, 1,2:3,4-diepoxy-
1,1′-Bi[ethylene oxide]
Butadiene diepoxide
Butadiene dioxide
1,2:3,4-Diepoxybutane
Bioxirane
Dioxybutadiene
Butane diepoxide
1,3-Butadiene diepoxide
DEB
NSC 629
1,3-Diepoxybutane
2-(Oxiran-2-yl)oxirane

Work with Diepoxybutane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Rel-(2R,2′R)-2,2′-Bioxirane298-18-0Defined stereoisomer

Similar compounds

Glycidaldehyde diethyl acetal13269-77-744 % similar Dimethyl isosorbide5306-85-439 % similar Vinyl cyclohexene dioxide106-87-638 % similar 1,2:5,6-Diepoxyhexane1888-89-733 % similar Levoglucosan498-07-732 % similar Triglycidylglycerol13236-02-731 % similar (+)-Propylene oxide15448-47-231 % similar (2S)-2-Methyloxirane16088-62-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Crotonic acid107-93-7 Vinyl acetate108-05-4 1,4-Butynediol110-65-6 Cyclopropanecarboxylic acid1759-53-1 Allyl formate1838-59-1 3-Oxotetrahydrofuran22929-52-8 3,6-Dioxabicyclo[3.1.0]hexane285-69-8

Elsewhere

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