2-Butyloxirane

C6H12OCAS 1436-34-6100.16 g/mol

Open in Covalent MOL file
O
EpoxideEther

Properties

Molecular formula
C6H12O
Molar mass
100.16 g/mol
Exact mass
100.0888 Da
Density
0.8456 g/mL (at 19.5 °C)
Melting point
93–95 °C
Boiling point
109–110 °C
logP
1.58Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
1436-34-6
SMILES
CCCCC1CO1
InChIKey
WHNBDXQTMPYBAT-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O/c1-2-3-4-6-5-7-6/h6H,2-5H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • Oxirane, 2-butyl-
  • Hexane, 1,2-epoxy-
  • Oxirane, butyl-
  • 1,2-Hexene oxide
  • 1,2-Epoxyhexane
  • 1-Hexene epoxide
  • 1-Hexene oxide
  • Butyloxirane
  • (±)-1,2-Epoxyhexane
  • (±)-Butyloxirane
  • NSC 24268

Work with 2-Butyloxirane

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

Similar compounds

1,2-Epoxydecane2404-44-680 % similar 1,2-Epoxydodecane2855-19-880 % similar 2-Hexyloxirane2984-50-180 % similar 1,2-Epoxytetradecane3234-28-480 % similar 1,2-Epoxyhexadecane7320-37-880 % similar 1,2-Epoxyoctadecane7390-81-080 % similar 1,2:7,8-Diepoxyoctane2426-07-567 % similar 1,2:5,6-Diepoxyhexane1888-89-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl isobutyl ketone108-10-1 Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 2-Methylpentaldehyde123-15-9 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0 3,3-Dimethylbutanal2987-16-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook