Ethylbenzene

C₈H₁₀CAS 100-41-4106.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₀
Molar mass: 106.17 g/mol
Exact mass: 106.0783 Da
Density: 0.867 g/mL (at 20 °C)
Melting point: −94.9 °C
Boiling point: 136.1 °C
Flash point: 17.8 °C (closed cup)
Water solubility: 170 mg/L (25 °C)
logP: 2.25Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H304 May be fatal if swallowed and enters airwaysAspiration hazard
H332 Harmful if inhaledAcute toxicity, inhalation
H373 May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P271, P280, P301+P316, P303+P361+P353, P304+P340, P317, P319, P331, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

100-41-4

SMILES

CCc1ccccc1

InChIKey

YNQLUTRBYVCPMQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3

Weigh it out

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

Names and synonyms

7 names

Benzene, ethyl-
EB
Ethylbenzol
Phenylethane
α-Methyltoluene
NSC 406903
1-Ethylbenzene

Safety data sheets

2 stored sheets list this compound in section 3, matched by the CAS number 100-41-4. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Ethylbenzene

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-Ethylbiphenyl5707-44-870 % similar 1,4-Diethylbenzene105-05-569 % similar 1,3-Diethylbenzene141-93-563 % similar 1-Ethyl-3-methylbenzene620-14-457 % similar n-Propylbenzene103-65-155 % similar 4-Ethylbenzophenone18220-90-154 % similar Bibenzyl103-29-753 % similar 1,2-Diethylbenzene135-01-353 % similar

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

Same formula

P-Xylene106-42-3 M-Xylene108-38-3 1,3,5-Cyclooctatriene1871-52-9 6,6-Dimethylfulvene2175-91-9 3,6-Di(methyl-d3)benzene-1,2,4,5-d441051-88-1 1,7-Octadiyne871-84-1 O-Xylene95-47-6

Elsewhere

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