Dibenzyl ether

C₁₄H₁₄OCAS 103-50-4198.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₄O
Molar mass: 198.27 g/mol
Exact mass: 198.1045 Da
Density: 0.9974 g/mL (at 25 °C)
Melting point: 3.6 °C
Boiling point: 298 °C
Flash point: 135 °C (closed cup)
Water solubility: miscible
logP: 3.40Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Warning

H317 May cause an allergic skin reaction65.6% of notifiers
H319 Causes serious eye irritation21.6% of notifiers
H400 Very toxic to aquatic life68.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects68.5% of notifiers
H411 Toxic to aquatic life with long lasting effects11.7% of notifiers

Aggregated from 2,222 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

103-50-4

SMILES

c1ccc(COCc2ccccc2)cc1

InChIKey

MHDVGSVTJDSBDK-UHFFFAOYSA-N

InChI

InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2

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Names and synonyms

10 names

Benzene, 1,1′-[oxybis(methylene)]bis-
Benzyl ether
1,1′-[Oxybis(methylene)]bis[benzene]
Benzyl oxide
Plastikator BA
BA (plasticizer)
BA
NSC 5931
[(Benzyloxy)methyl]benzene
(Oxybis(methylene))dibenzene

Work with Dibenzyl ether

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

Benzyl chloromethyl ether3587-60-867 % similar Benzyl 3-bromopropyl ether54314-84-063 % similar Benzyl 2-bromoethyl ether1462-37-961 % similar Benzyl 2-chloroethyl ether17229-17-361 % similar 2-(Benzyloxy)ethanamine38336-04-861 % similar 2-(Benzyloxy) ethanol622-08-261 % similar Allyl benzyl ether14593-43-258 % similar (-)-Benzyl (R)-glycidyl ether14618-80-558 % similar

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

Same formula

4-Methylbenzhydrol1517-63-1 1,1′-Oxybis[4-methylbenzene]1579-40-4 4-(4-Ethylphenyl)phenol21345-28-8 1-(4-Biphenylyl)ethanol3562-73-0 2-Methylbenzhydrol5472-13-9 1,1-Diphenylethanol599-67-7 2-Methyl[1,1′-biphenyl]-3-methanol76350-90-8

Elsewhere

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