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| CAS No.: | 1685-80-9 |
|---|---|
| Name: | 2,4-Dimethylcinnamic acid |
| Molecular Structure: | |
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|
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| Formula: | C11H12O2 |
| Molecular Weight: | 176.215 |
| Synonyms: | Cinnamicacid, 2,4-dimethyl- (6CI,7CI,8CI);3-(2,4-Dimethylphenyl)acrylic acid; |
| Density: | 1.118 g/cm3 |
| Melting Point: | 179-180 °C |
| Boiling Point: | 310 °C at 760 mmHg |
| Flash Point: | 215 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 37.30000 |
| LogP: | 2.40120 |
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Specification
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