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| CAS No.: | 11028-42-5 |
|---|---|
| Name: | Cedrene |
| Molecular Structure: | |
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| Formula: | C15H24 |
| Molecular Weight: | 204.35 |
| Synonyms: | 1H-3a,7-Methanoazulene,cedrene deriv.;1H-3a,7-methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-;Cedr-8-ene;1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3α,3aβ,7β,8aα)]-;Di-epi-α-cedrene;α-Funebrene; |
| EINECS: | 234-257-7 |
| Density: | 0.94 g/cm3 |
| Melting Point: | 262.5 °C |
| Boiling Point: | 262.5 °C at 760 mmHg |
| Flash Point: | 110.2 °C |
| Appearance: | Pale yellow viscous liquid |
| PSA: | 0.00000 |
| LogP: | 4.41500 |
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Specification
The Cedrene, with the CAS registry number 11028-42-5, is also known as 1H-3a,7-methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-. Its EINECS number is 234-257-7. This chemical's molecular formula is C15H24 and molecular weight is 204.35. What's more, its systematic name is cedr-8-ene.
Physical properties of Cedrene are: (1)ACD/LogP: 6.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.38; (4)ACD/BCF (pH 5.5): 41338.61; (5)ACD/KOC (pH 5.5): 70140.79; (6)Index of Refraction: 1.515; (7)Molar Refractivity: 64.99 cm3; (8)Molar Volume: 215.5 cm3; (9)Surface Tension: 32 dyne/cm; (10)Density: 0.94 g/cm3; (11)Flash Point: 110.2 °C; (12)Enthalpy of Vaporization: 48.01 kJ/mol; (13)Boiling Point: 262.5 °C at 760 mmHg; (14)Vapour Pressure: 0.0177 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CCC23CC1C(C2CCC3=C)(C)C
(2)Isomeric SMILES: C[C@@H]1CCC23C[C@@H]1C([C@@H]2CCC3=C)(C)C
(3)InChI: InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12+,13+,15?/m1/s1
(4)InChIKey: QQKZQCZZXKSVPR-GJDRTUMJSA-N