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Ethylmethyl-Benzene
[CAS# 25550-14-5]

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Identification
Name Ethylmethyl-Benzene
Synonyms 1-Ethyl-2-Methyl-Benzene; 1-Methyl-2-Ethylbenzene; 2-Ethyltoluene
Molecular Structure CAS#: 25550-14-5, Ethylmethyl-Benzene
Molecular Formula C9H12
Molecular Weight 120.19
CAS Registry Number 25550-14-5
EINECS 247-093-6
SMILES C1=CC=CC(=C1CC)C
InChI 1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
InChIKey HYFLWBNQFMXCPA-UHFFFAOYSA-N
Properties
Density 20 (Expl.)
0.9±0.1g/cm3 (Cal.)
Melting point -17°C (Expl.)
Boiling point 164.1±10.0°C at 760 mmHg (Cal.)
164-165°C (Expl.)
Flash point 53°C (Expl.)
39.444°C (Cal.)
Refractive index 1.504 (Expl.)
Safety Data
Safety Code S23;S36;S60;S62  Details
Risk Code R10;R65  Details
Hazard Symbol symbol  X  Details
Transport Information UN3295
Safety Description HARMFUL
10/1/1965 12:00:00 AM
DANGER: FLAMMABLE, irritates skin and eyes
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
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