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Isoborneol [10385-78-1]

 


Identification
Copyright
CAS # 10385-78-1, Isoborneol
Name
Isoborneol
Synonyms
1,7,7-Trimethylnorbornan-2-Ol; 1,7,7-Trimethyl-2-Norbornanol; Bicyclo[2.2.1]Heptan-2-Ol, 1,7,7-Trimethyl-
Molecular Formula
C10H18O
Molecular Weight 154.25
CAS Registry Number
10385-78-1
SMILES
CC12C(C(CC1O)CC2)(C)C
InChI
1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
InChIKey DTGKSKDOIYIVQL-UHFFFAOYSA-N
down Properties
Desity 0.993g/cm3 (Cal.)
Melting point 206°C (Expl.)
Boiling point 211.999°C at 760 mmHg (Cal.)
Flash point 65.556°C (Cal.)
down 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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