1,2-Epoxyoctadecane

C₁₈H₃₆OCAS 7390-81-0268.48 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₃₆O
Molar mass: 268.48 g/mol
Exact mass: 268.2766 Da
Density: 0.83 g/mL (at 20 °C)
Melting point: 26.1 °C
Boiling point: 137 °C (at 0.5 Torr)
Water solubility: < 1 g/L (21.1 °C)
logP: 6.26Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 15

Hazards

Warning

H315 Causes skin irritation91.7% of notifiers
H319 Causes serious eye irritation91.7% of notifiers
H335 May cause respiratory irritation81.2% of notifiers

Aggregated from 48 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

7390-81-0

SMILES

CCCCCCCCCCCCCCCCC1CO1

InChIKey

QBJWYMFTMJFGOL-UHFFFAOYSA-N

InChI

InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3

Weigh it out

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

Names and synonyms

11 names

Oxirane, 2-hexadecyl-
Octadecane, 1,2-epoxy-
Oxirane, hexadecyl-
2-Hexadecyloxirane
Octadecylene oxide
1,2-Octadecylene oxide
1,2-Octadecene epoxide
Hexadecyloxirane
Vikolox 18
Epoxide C 18
Vilolox C16

Work with 1,2-Epoxyoctadecane

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

1,2-Epoxydecane2404-44-6100 % similar 1,2-Epoxydodecane2855-19-8100 % similar 2-Hexyloxirane2984-50-1100 % similar 1,2-Epoxytetradecane3234-28-4100 % similar 1,2-Epoxyhexadecane7320-37-8100 % 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

Oleyl alcohol143-28-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook