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Butan-2-Ylbenzene
[CAS# 36383-15-0]

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Identification
Name Butan-2-Ylbenzene
Synonyms Sec-Butylbenzene; C14142; (1-Methylpropyl)Benzene
Molecular Structure CAS#: 36383-15-0, Butan-2-Ylbenzene
Molecular Formula C10H14
Molecular Weight 134.22
CAS Registry Number 36383-15-0 (5787-28-0)
SMILES C1=C(C(CC)C)C=CC=C1
InChI 1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKey ZJMWRROPUADPEA-UHFFFAOYSA-N
Properties
Density 0.9±0.1g/cm3 (Cal.)
20 (Expl.)
Melting point -75°C (Expl.)
Boiling point 173.329°C at 760 mmHg (Cal.)
173-174°C (Expl.)
Flash point 52°C (Expl.)
46.3±8.5°C (Cal.)
Refractive index 1.49 (Expl.)
Safety Data
Safety Code S26;S36/37  Details
Risk Code R10;R22;R36/37/38  Details
Hazard Symbol symbol  X  Details
Transport Information UN2709
Safety Description DANGER: FLAMMABLE, causes CNS effects, irritates skin & 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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