(E)-Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate supplier

Name
(E)-Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate
EINECS 279-631-0
CAS No. 80937-23-1
Article Data10
CAS DataBase
Density 1.241 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Butenoicacid, 4-(3,4-dimethoxyphenyl)-4-oxo-, (E)-;trans-b-(m,p-Dimethoxybenzoyl)acrylic acid;
PSA 61.83000
LogP 2.00580

(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:
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,

Product Name

(E)-Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate

(E)-Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate Chemical Properties

(E)-Ethyl 4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate Toxicity Data With Reference

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