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4,4-Dimethyl-1-Pentanol
[CAS# 3121-79-7]

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Identification
Name 4,4-Dimethyl-1-Pentanol
Synonyms Nciopen2_001847; 1-Pentanol, 4,4-Dimethyl- (8Ci)(9Ci); 4,4-Dimethyl-1-Pentanol
Molecular Structure CAS#: 3121-79-7, 4,4-Dimethyl-1-Pentanol
Molecular Formula C7H16O
Molecular Weight 116.20
CAS Registry Number 3121-79-7
SMILES C(C(C)(C)C)CCO
InChI 1S/C7H16O/c1-7(2,3)5-4-6-8/h8H,4-6H2,1-3H3
InChIKey OWCNPTHAWPMOJU-UHFFFAOYSA-N
Properties
Density 0.82g/cm3 (Cal.)
Boiling point 146.556°C at 760 mmHg (Cal.)
Flash point 49.359°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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