1,3-Diethylbenzene

C₁₀H₁₄CAS 141-93-5134.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₄
Molar mass: 134.22 g/mol
Exact mass: 134.1096 Da
Density: 0.8602 g/mL (at 20 °C)
Melting point: −83.9 °C
Boiling point: 181.1 °C
Flash point: 56 °C
Water solubility: 24 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 vapor> 99.9% of notifiers
H304 May be fatal if swallowed and enters airways93.3% of notifiers
H315 Causes skin irritation99.2% of notifiers
H319 Causes serious eye irritation99.2% of notifiers
H335 May cause respiratory irritation99.1% of notifiers
H411 Toxic to aquatic life with long lasting effects93.5% of notifiers

Aggregated from 1,063 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, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

141-93-5

SMILES

CCc1cccc(CC)c1

InChIKey

AFZZYIJIWUTJFO-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

6 names

Benzene, 1,3-diethyl-
Benzene, m-diethyl-
m-Diethylbenzene
m-Ethylethylbenzene
NSC 62102
1-Ethyl-3-ethylbenzene

Work with 1,3-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

1-Ethyl-3-methylbenzene620-14-468 % similar 1-Bromo-3-ethylbenzene2725-82-865 % similar 3-Ethylaniline587-02-065 % similar 3-Ethylphenol620-17-765 % similar 1,3,5-Triethylbenzene102-25-065 % similar Ethylbenzene100-41-463 % similar 1-tert-Butyl-3-ethylbenzene14411-56-460 % similar 3-Ethylbenzonitrile34136-57-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

n-Butylbenzene104-51-8 1,4-Diethylbenzene105-05-5 1,2-Diethylbenzene135-01-3 sec-Butylbenzene135-98-8 1,9-Decadiyne1720-38-3 Prehnitene488-23-3 Isodurene527-53-7 O-Cymene527-84-4

Elsewhere

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