- (E)-Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate
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| Name |
(E)-Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate |
EINECS | 279-631-0 |
| CAS No. | 80937-23-1 | Density | 1.241 g/cm3 |
| PSA | 61.83000 | LogP | 2.00580 |
| Solubility | N/A | Melting Point |
87.0-91.0oC |
| Formula | C14H16O5 | Boiling Point | 422.1 °C at 760 mmHg |
| Molecular Weight | 236.224 | Flash Point | 164.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Butenoicacid, 4-(3,4-dimethoxyphenyl)-4-oxo-, (E)-;trans-b-(m,p-Dimethoxybenzoyl)acrylic acid; |
Article Data | 10 |
(E)-Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate Chemical Properties
IUPAC Name: (E)-4-(3,4-Dimethoxyphenyl)-4-oxobut-2-enoic acid
Synonyms of (E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid (CAS NO.80937-23-1): Acide (E)4-(3,4-dimethoxy-phenyl)-4-oxo-2-butenoique ; 2-Butenoic acid, 4-(3,4-dimethoxyphenyl)-4-oxo-, (E)- ; 4-(3,4-Dimethoxyphenyl)-4-oxocrotonic acid
CAS NO: 80937-23-1
Molecular Formula: C12H12O5
Molecular Weight: 236.2207
Molecular Structure: .png)
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 61.83Å2
Index of Refraction: 1.549
Molar Refractivity: 60.52 cm3
Molar Volume: 190.2 cm3
Surface Tension: 45.6 dyne/cm
Density: 1.241 g/cm3
Flash Point: 164.1 °C
Enthalpy of Vaporization: 71.29 kJ/mol
Boiling Point: 422.1 °C at 760 mmHg
Vapour Pressure: 7.04E-08 mmHg at 25°C
InChI: InChI=1/C12H12O5/c1-16-10-5-3-8(7-11(10)17-2)9(13)4-6-12(14)15/h3-7H,1-2H3,(H,14,15)/b6-4+
InChIKey: QUWWWXPLUJFEHM-GQCTYLIABO
Std. InChI: InChI=1S/C12H12O5/c1-16-10-5-3-8(7-11(10)17-2)9(13)4-6-12(14)15/h3-7H,1-2H3,(H,14,15)/b6-4+
Std. InChIKey: QUWWWXPLUJFEHM-GQCTYLIASA-N
(E)-Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 500mg/kg (500mg/kg) | French Demande Patent Document. Vol. 2481118, |
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