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CAS No.: | 1210-39-5 |
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Name: | BETA-PHENYLCINNAMALDEHYDE |
Article Data: | 122 |
Molecular Structure: | |
Formula: | C15H12O |
Molecular Weight: | 208.26 |
Synonyms: | Acrolein,3,3-diphenyl- (6CI,7CI,8CI);3,3-Diphenyl-2-propenal;3,3-Diphenylacrolein;3,3-Diphenylacrylaldehyde;3-Phenylcinnamaldehyde;NSC 87895;β,β-Diphenylacrolein;β-Phenylcinnamaldehyde;3,3-Diphenylprop-2-enal;Acrolein, 3,3-diphenyl-;3,3-Diphenyl-propenal; |
EINECS: | 214-913-9 |
Density: | 1.072 g/cm3 |
Melting Point: | 44-46 °C(lit.) |
Boiling Point: | 331.8 °C at 760 mmHg |
Flash Point: | 136.2 °C |
Hazard Symbols: | Xi,N |
Risk Codes: | 43-51/53 |
Safety: | 36/37-61 |
PSA: | 17.07000 |
LogP: | 3.31720 |
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The 2-Propenal,3,3-diphenyl-, with the CAS registry number 1210-39-5, is also known as 3,3-Diphenylacrylaldehyde. Its EINECS number is 214-913-9. This chemical's molecular formula is C15H12O and molecular weight is 208.26. What's more, its systematic name is 3,3-Diphenylprop-2-enal. It is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. What's more, it should be protected from light.
Physical properties of 2-Propenal,3,3-diphenyl- are: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.29; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 1064.44; (6)ACD/BCF (pH 7.4): 1064.44; (7)ACD/KOC (pH 5.5): 5109.91; (8)ACD/KOC (pH 7.4): 5109.91; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 65.36 cm3; (15)Molar Volume: 194.1 cm3; (16)Polarizability: 25.91×10-24 cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.072 g/cm3; (19)Flash Point: 136.2 °C; (20)Enthalpy of Vaporization: 57.45 kJ/mol; (21)Boiling Point: 331.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000152 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=CC=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C15H12O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
(3)InChIKey: MWAFWBDWAWZJGK-UHFFFAOYSA-N