Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Propenal,3-(2,4,6-trimethylphenyl)-, (2E)- |
EINECS | N/A |
CAS No. | 131534-70-8 | Density | 0.986 g/cm3 |
PSA | 17.07000 | LogP | 2.82390 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H14O | Boiling Point | 289.9 °C at 760 mmHg |
Molecular Weight | 174.243 | Flash Point | 112.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Propenal,3-(2,4,6-trimethylphenyl)-, (E)-;(2E)-3-(2,4,6-Trimethylphenyl)prop-2-enal;2,4,6-Trimethylcinnamaldehyde; |
Article Data | 5 |
The 2-Propenal,3-(2,4,6-trimethylphenyl)-, (2E)-, with the CAS registry number 131534-70-8, is also known as 2,4,6-Trimethylcinnamaldehyde. This chemical's molecular formula is C12H14O and molecular weight is 174.24. What's more, its systematic name is (2E)-3-(2,4,6-Trimethylphenyl)prop-2-enal.
Physical properties of 2-Propenal,3-(2,4,6-trimethylphenyl)-, (2E)- are: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 270.81; (6)ACD/BCF (pH 7.4): 270.81; (7)ACD/KOC (pH 5.5): 1918.25; (8)ACD/KOC (pH 7.4): 1918.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 56.8 cm3; (15)Molar Volume: 176.5 cm3; (16)Polarizability: 22.51×10-24 cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 0.986 g/cm3; (19)Flash Point: 112.2 °C; (20)Enthalpy of Vaporization: 52.92 kJ/mol; (21)Boiling Point: 289.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00214 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C/C=C/c1c(cc(cc1C)C)C
(2)InChI: InChI=1S/C12H14O/c1-9-7-10(2)12(5-4-6-13)11(3)8-9/h4-8H,1-3H3/b5-4+
(3)InChIKey: PBSWKUAPPIGTBQ-SNAWJCMRSA-N