2-Propenal,3,3-diphenyl- supplier

Name
BETA-PHENYLCINNAMALDEHYDE
EINECS 214-913-9
CAS No. 1210-39-5
Article Data122
CAS DataBase
Density 1.072 g/cm³
Solubility
Melting Point 44-46 °C(lit.)
Formula C₁₅H₁₂O
Boiling Point 331.8 °C at 760 mmHg
Molecular Weight 208.26
Flash Point 136.2 °C
Transport Information
Appearance
Safety 36/37-61
Risk Codes 43-51/53
Molecular Structure
Hazard Symbols Xi,N
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;
PSA 17.07000
LogP 3.31720

2-Propenal,3,3-diphenyl- Specification

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^-24cm³; (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

Product Name

BETA-PHENYLCINNAMALDEHYDE

2-Propenal,3,3-diphenyl- Specification

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