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4-Methyl-1-Pentanol
[CAS# 1320-98-5]

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Achemica Switzerland Inquire  
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Identification
Name 4-Methyl-1-Pentanol
Synonyms Isohexanol; Nsc 91492
Molecular Formula C6H14O
Molecular Weight 102.18
CAS Registry Number 1320-98-5
EINECS 210-969-3
SMILES C(C(C)C)CCO
InChI 1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
InChIKey PCWGTDULNUVNBN-UHFFFAOYSA-N
Properties
Density 0.814g/cm3 (Cal.)
Boiling point 151.599°C at 760 mmHg (Cal.)
Flash point 51.667°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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