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(+-)-2-Methylpentanol
[CAS# 17092-54-5]

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Identification
Name (+-)-2-Methylpentanol
Synonyms 1,3-Dimethyl Butanol; 1-Pentanol, 2-Methyl-; 2-Methyl-1-Pentanol
Molecular Structure CAS#: 17092-54-5, (+-)-2-Methylpentanol
Molecular Formula C6H14O
Molecular Weight 102.18
CAS Registry Number 17092-54-5
SMILES C(C(CO)C)CC
InChI 1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3
InChIKey PFNHSEQQEPMLNI-UHFFFAOYSA-N
Properties
Density 0.814g/cm3 (Cal.)
Boiling point 147.999°C at 760 mmHg (Cal.)
Flash point 50.556°C (Cal.)
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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