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5-Methyl-2-Hexanol
[CAS 627-59-8]

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Identification
Name 5-Methyl-2-Hexanol
Synonyms (+-)-5-Methyl-2-Hexanol; 2-Hexanol, 5-Methyl-; 5-Methyl-2-Hexanol
Molecular Formula C7H16O
Molecular Weight 116.20
CAS Registry Number 627-59-8
EINECS 211-004-9
SMILES C(C(C)C)CC(C)O
InChI 1S/C7H16O/c1-6(2)4-5-7(3)8/h6-8H,4-5H2,1-3H3
InChIKey ZDVJGWXFXGJSIU-UHFFFAOYSA-N
Properties
Density 0.8±0.1g/cm3 (Cal.)
Boiling point 148-150°C (Expl.)
152.7±8.0°C at 760 mmHg (Cal.)
Flash point 46.111°C (Cal.)
46°C (Expl.)
Refractive index 1.417 (Expl.)
Safety Data
Safety Description DANGER: FLAMMABLE, irritates skin, eyes, lungs
CAUTION: May irritate eyes, skin, and respiratory tract
SDS Available
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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