2-Propenal,3-(2,4,6-trimethylphenyl)-, (2E)- supplier

Name
2,4,6-TRIMETHYLCINNAMALDEHYDE
EINECS
CAS No. 131534-70-8
Article Data5
CAS DataBase
Density 0.986 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄O
Boiling Point 289.9 °C at 760 mmHg
Molecular Weight 174.243
Flash Point 112.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propenal,3-(2,4,6-trimethylphenyl)-, (E)-;(2E)-3-(2,4,6-Trimethylphenyl)prop-2-enal;2,4,6-Trimethylcinnamaldehyde;
PSA 17.07000
LogP 2.82390

2-Propenal,3-(2,4,6-trimethylphenyl)-, (2E)- Specification

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^-24cm³; (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

Product Name

2,4,6-TRIMETHYLCINNAMALDEHYDE

2-Propenal,3-(2,4,6-trimethylphenyl)-, (2E)- Specification

Related Products

Hot Products