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2-Methyl-1-Butanol
[CAS# 34713-94-5]

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Identification
Name 2-Methyl-1-Butanol
Synonyms 1-Butanol, 2-Methyl-; (S)-2-Methyl-1-Butanol; (S)-2-Methylbutan-1-Ol
Molecular Structure CAS#: 34713-94-5, 2-Methyl-1-Butanol
Molecular Formula C5H12O
Molecular Weight 88.15
CAS Registry Number 34713-94-5
EINECS 252-163-4
SMILES C(C)C(CO)C
InChI 1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
InChIKey QPRQEDXDYOZYLA-UHFFFAOYSA-N
Properties
Density 20 (Expl.)
0.8±0.1g/cm3 (Cal.)
Melting point <-70°C (Expl.)
Boiling point 128.699°C at 760 mmHg (Cal.)
130°C (Expl.)
Flash point 43°C (Expl.)
43.333°C (Cal.)
Refractive index 1.411 (Expl.)
Safety Data
Safety Code S46  Details
Risk Code R10;R20;R37;R66  Details
Hazard Symbol symbol  X  Details
Transport Information UN1105
Safety Description 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
Market Analysis Reports
List of Reports Available for 2-Methyl-1-Butanol
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