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D-Fenchone
[CAS# 126-21-6]

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Identification
Name D-Fenchone
Synonyms 1,3,3-Trimethylnorbornan-2-One; 1,3,3-Trimethyl-2-Norbornanone; D-1,3,3-Trimethyl-2-Norcamphanone
Molecular Structure CAS#: 126-21-6, D-Fenchone
Molecular Formula C10H16O
Molecular Weight 152.24
CAS Registry Number 126-21-6 (1195-79-5)
SMILES CC12C(=O)C(C(C1)CC2)(C)C
InChI 1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
InChIKey LHXDLQBQYFFVNW-UHFFFAOYSA-N
Properties
Density 1.0±0.1g/cm3 (Cal.)
0.945 (Expl.)
Melting point 3-5°C (Expl.)
Boiling point 192°C (Expl.)
193.499°C at 760 mmHg (Cal.)
Flash point 73°C (Expl.)
52.778°C (Cal.)
Refractive index 1.463 (Expl.)
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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