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Name |
2,4-Dimethylcinnamic acid |
EINECS | N/A |
CAS No. | 1685-80-9 | Density | 1.118 g/cm3 |
PSA | 37.30000 | LogP | 2.40120 |
Solubility | N/A | Melting Point |
179-180 °C |
Formula | C11H12O2 | Boiling Point | 310 °C at 760 mmHg |
Molecular Weight | 176.215 | Flash Point | 215 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Cinnamicacid, 2,4-dimethyl- (6CI,7CI,8CI);3-(2,4-Dimethylphenyl)acrylic acid; |
Article Data | 9 |
The CAS register number of 2,4-Dimethylcinnamic acid is 1685-80-9. It also can be called as 3-(2,4-dimethylphenyl)acrylic acid and the IUPAC name about this chemical is (E)-3-(2,4-dimethylphenyl)prop-2-enoic acid. The molecular formula about this chemical is C11H12O2 and molecular weight is 176.21. It belongs to the Aromatic Cinnamic Acids, Esters and Derivatives.
Physical properties about 2,4-Dimethylcinnamic acid are: (1)ACD/LogP: 3.33; (2)ACD/LogD (pH 5.5): 1.86; (3)ACD/LogD (pH 7.4): 0.12; (4)ACD/BCF (pH 5.5): 6.83; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 52.68; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.3Å2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 53.35 cm3; (14)Molar Volume: 157.5 cm3; (15)Polarizability: 21.15x10-24cm3; (16)Surface Tension: 44.6 dyne/cm; (17)Flash Point: 215 °C; (18)Enthalpy of Vaporization: 58.16 kJ/mol; (19)Boiling Point: 310 °C at 760 mmHg; (20)Vapour Pressure: 0.000265 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(C)ccc1/C=C/C(O)=O
(2)InChI: InChI=1/C11H12O2/c1-8-3-4-10(9(2)7-8)5-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-5+
(3)InChIKey: UFSZMHHSCOXWPC-AATRIKPKBX
(4)Std. InChI: InChI=1S/C11H12O2/c1-8-3-4-10(9(2)7-8)5-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-5+
(5)Std. InChIKey: UFSZMHHSCOXWPC-AATRIKPKSA-N