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| CAS No.: | 151455-08-2 |
|---|---|
| Name: | O-Geranylvanillin |
| Molecular Structure: | |
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| Formula: | C18H24O3 |
| Molecular Weight: | 288.387 |
| Synonyms: | Benzaldehyde,4-[(3,7-dimethyl-2,6-octadienyl)oxy]-3-methoxy-, (E)-;Benzaldehyde, 4-[[(2E)-3,7-dimethyl-2,6-octadienyl]oxy]-3-methoxy-(9CI);Benzaldehyde,4-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-3-methoxy-;4-[(2E)-3,7-Dimethylocta-2,6-dienoxy]-3-methoxybenzaldehyde; |
| Density: | 1.013 g/cm3 |
| Boiling Point: | 424.2 °C at 760 mmHg |
| Flash Point: | 202.1 °C |
| PSA: | 35.53000 |
| LogP: | 4.57920 |
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Specification
The O-Geranylvanillin, with the CAS registry number 151455-08-2, is also known as Benzaldehyde,4-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-3-methoxy-. This chemical's molecular formula is C18H24O3 and molecular weight is 288.38. What's more, its IUPAC name is 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxybenzaldehyde.
Physical properties of O-Geranylvanillin are: (1)ACD/LogP: 5.53; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.53; (4)ACD/LogD (pH 7.4): 5.53; (5)ACD/BCF (pH 5.5): 9352.62; (6)ACD/BCF (pH 7.4): 9352.62; (7)ACD/KOC (pH 5.5): 24209.4; (8)ACD/KOC (pH 7.4): 24209.4; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 87.85 cm3; (15)Molar Volume: 284.4 cm3; (16)Polarizability: 34.83×10-24cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.013 g/cm3; (19)Flash Point: 202.1 °C; (20)Enthalpy of Vaporization: 67.87 kJ/mol; (21)Boiling Point: 424.2 °C at 760 mmHg; (22)Vapour Pressure: 2.11E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)(1)Canonical SMILES: CC(=CCCC(=CCOC1=C(C=C(C=C1)C=O)OC)C)C
(2)Isomeric SMILES: CC(=CCC/C(=C/COC1=C(C=C(C=C1)C=O)OC)/C)C
(3)InChI: InChI=1S/C18H24O3/c1-14(2)6-5-7-15(3)10-11-21-17-9-8-16(13-19)12-18(17)20-4/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
(4)InChIKey: SRLAFDUAEAXGBA-XNTDXEJSSA-N