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| CAS No.: | 69877-38-9 |
|---|---|
| Name: | (2E,4E)-5-(4-Methoxy-2,3,6-trimethylphenyl)-3-methylpenta-2,4-dienal |
| Molecular Structure: | |
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| Formula: | C16H20O2 |
| Molecular Weight: | 244.334 |
| Synonyms: | 2,4-Pentadienal,5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-, (E,E)-; |
| Density: | 1.003 g/cm3 |
| Boiling Point: | 401.9 °C at 760 mmHg |
| Flash Point: | 175 °C |
| PSA: | 26.30000 |
| LogP: | 3.77880 |
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- Total:30 Page 1 of 1 1
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Specification
This chemical is called (2E,4E)-5-(4-Methoxy-2,3,6-trimethylphenyl)-3-methylpenta-2,4-dienal, and it can also be named as 2,4-pentadienal, 5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-, (2E,4E)-. With the molecular formula of C16H20O2, its molecular weight is 244.33. The CAS registry number of this chemical is 69877-38-9.
Other characteristics of the (2E,4E)-5-(4-Methoxy-2,3,6-trimethylphenyl)-3-methylpenta-2,4-dienal can be summarised as followings: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 451.44; (6)ACD/BCF (pH 7.4): 451.44; (7)ACD/KOC (pH 5.5): 2765.45; (8)ACD/KOC (pH 7.4): 2765.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 77.28 cm3; (15)Molar Volume: 243.4 cm3; (16)Polarizability: 30.63×10-24cm3; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 1.003 g/cm3; (19)Flash Point: 175 °C; (20)Enthalpy of Vaporization: 65.3 kJ/mol; (21)Boiling Point: 401.9 °C at 760 mmHg; (22)Vapour Pressure: 1.14E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1c(C)c(c(C)cc1OC)\C=C\C(\C)=C\C=O
2.InChI: InChI=1/C16H20O2/c1-11(8-9-17)6-7-15-12(2)10-16(18-5)14(4)13(15)3/h6-10H,1-5H3/b7-6+,11-8+
3.InChIKey: NSNAPUXYLZDDGQ-HRCSPUOPBG
4.Std. InChI: InChI=1S/C16H20O2/c1-11(8-9-17)6-7-15-12(2)10-16(18-5)14(4)13(15)3/h6-10H,1-5H3/b7-6+,11-8+
5.Std. InChIKey: NSNAPUXYLZDDGQ-HRCSPUOPSA-N