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3-Methyl-3-Heptanol
[CAS# 5582-82-1]

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Identification
Name 3-Methyl-3-Heptanol
Synonyms 3-Heptanol, 3-Methyl- (8Ci)(9Ci); Nsc 25542; St5409734
Molecular Structure CAS#: 5582-82-1, 3-Methyl-3-Heptanol
Molecular Formula C8H18O
Molecular Weight 130.23
CAS Registry Number 5582-82-1
SMILES C(C(O)(CC)C)CCC
InChI 1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3
InChIKey PQOSNJHBSNZITJ-UHFFFAOYSA-N
Properties
Density 0.8±0.1g/cm3 (Cal.)
0.83 (Expl.)
Boiling point 165.5±8.0°C at 760 mmHg (Cal.)
64°C (Expl.)
Flash point 60.6±8.6°C (Cal.)
58°C (Expl.)
Safety Data
Safety Code S26;S37  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Transport Information UN1987
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
Market Analysis Reports
List of Reports Available for 3-Methyl-3-Heptanol
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