1,4-Diethylbenzene

C₁₀H₁₄CAS 105-05-5134.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₄
Molar mass: 134.22 g/mol
Exact mass: 134.1096 Da
Density: 0.862 g/mL (at 20 °C)
Melting point: −42.83 °C
Boiling point: 183.7 °C
Flash point: 55.6 °C (closed cup)
Water solubility: 24.8 mg/L
logP: 2.81Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways89.1% of notifiers
H315 Causes skin irritation97.4% of notifiers
H318 Causes serious eye damage89.1% of notifiers
H411 Toxic to aquatic life with long lasting effects93.3% of notifiers

Aggregated from 1,120 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P301+P316, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

105-05-5

SMILES

CCc1ccc(CC)cc1

InChIKey

DSNHSQKRULAAEI-UHFFFAOYSA-N

InChI

InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

5 names

Benzene, 1,4-diethyl-
Benzene, p-diethyl-
p-Xylene, α,α′-dimethyl-
p-Diethylbenzene
p-Ethylethylbenzene

Work with 1,4-Diethylbenzene

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

4-Ethyltoluene622-96-871 % similar Ethylbenzene100-41-469 % similar 4-Ethylphenol123-07-967 % similar 4-Ethylbenzyl chloride1467-05-667 % similar 1-Bromo-4-ethylbenzene1585-07-567 % similar 1-Ethyl-4-iodobenzene25309-64-267 % similar 1-Ethyl-4-fluorobenzene459-47-267 % similar 4-Ethylbenzenethiol4946-13-867 % similar

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

Same formula

n-Butylbenzene104-51-8 1,2-Diethylbenzene135-01-3 sec-Butylbenzene135-98-8 1,3-Diethylbenzene141-93-5 1,9-Decadiyne1720-38-3 Prehnitene488-23-3 Isodurene527-53-7 O-Cymene527-84-4

Elsewhere

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