2-Hexyloxirane

C₈H₁₆OCAS 2984-50-1128.22 g/mol

Open in Covalent MOL file

Epoxide Ether

Properties

Molecular formula: C₈H₁₆O
Molar mass: 128.22 g/mol
Exact mass: 128.1201 Da
Density: 0.839 g/mL (at 20 °C)
Boiling point: 60–70 °C
logP: 2.36Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5

Hazards

Warning

H226 Flammable liquid and vapor97.8% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

2984-50-1

SMILES

CCCCCCC1CO1

InChIKey

NJWSNNWLBMSXQR-UHFFFAOYSA-N

InChI

InChI=1S/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3

Weigh it out

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

Names and synonyms

17 names · show all

Oxirane, 2-hexyl-
Octane, 1,2-epoxy-
Oxirane, hexyl-
1,2-Epoxyoctane
Octene-1,2-oxide
1,2-Epoxy-n-octane
1-Octene oxide
n-Octene-1,2-oxide
1-Octene epoxide
Octane 1,2-oxide
α-Epoxyoctane
n-Hexyloxirane
1,2-Octylene oxide
1,2-Epoxyoctene
Hexyloxirane
(±)-1,2-Epoxyoctane
NSC 24246

Work with 2-Hexyloxirane

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-Epoxydecane2404-44-6100 % similar 1,2-Epoxydodecane2855-19-8100 % similar 1,2-Epoxytetradecane3234-28-4100 % similar 1,2-Epoxyhexadecane7320-37-8100 % similar 1,2-Epoxyoctadecane7390-81-0100 % similar 2-Butyloxirane1436-34-680 % similar 1,2:7,8-Diepoxyoctane2426-07-568 % similar Pentylcyclohexane4292-92-655 % similar

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

Same formula

3-Octanone106-68-3 2-Octanone111-13-7 1-Cyclohexylethanol1193-81-3 2-Ethylhexanal123-05-7 Octanal124-13-0 2-Methyl-3-heptanone13019-20-0 2,2,5,5-Tetramethyltetrahydrofuran15045-43-9 (E)-2-Octen-1-ol18409-17-1

Elsewhere

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