2-Butenoic acid,3-methyl-4-oxo-, ethyl ester supplier

Name
ethyl 3-methyl-4-oxo-2-butenoate
EINECS 255-575-2
CAS No. 41891-38-7
Article Data4
CAS DataBase
Density 1.027 g/cm³
Solubility
Melting Point
Formula C₇H₁₀O₃
Boiling Point 216.7 °C at 760 mmHg
Molecular Weight 142.155
Flash Point 87.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl3-formylcrotonate;Ethyl 3-methyl-4-oxo-2-butenoate;Ethyl3-methyl-4-oxocrotonate;Ethyl b-formylcrotonate;
PSA 43.37000
LogP 0.69470

2-Butenoic acid,3-methyl-4-oxo-, ethyl ester Specification

The 2-Butenoic acid, 3-methyl-4-oxo-, ethyl ester, with the CAS registry number 41891-38-7, is also known as Ethyl 3-methyl-4-oxo-2-butenoate. Its EINECS registry number is 255-575-2. This chemical's molecular formula is C₇H₁₀O₃ and molecular weight is 142.1525. What's more, its systematic name is Ethyl 3-methyl-4-oxobut-2-enoate.

Physical properties about 2-Butenoic acid, 3-methyl-4-oxo-, ethyl ester are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 1.54; (6)ACD/BCF (pH 7.4): 1.54; (7)ACD/KOC (pH 5.5): 47.48; (8)ACD/KOC (pH 7.4): 47.48; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 36.34 cm³; (15)Molar Volume: 138.2 cm³; (16)Polarizability: 14.4×10^-24 cm³; (17)Surface Tension: 31.5 dyne/cm; (18)Density: 1.027 g/cm³; (19)Flash Point: 87.4 °C; (20)Enthalpy of Vaporization: 45.3 kJ/mol; (21)Boiling Point: 216.7 °C at 760 mmHg; (22)Vapour Pressure: 0.138 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CC(=CC(=O)OCC)C
(2) InChI: InChI=1/C7H10O3/c1-3-10-7(9)4-6(2)5-8/h4-5H,3H2,1-2H3
(3) InChIKey: YLFXEUMFBVGYEL-UHFFFAOYAM

Product Name

ethyl 3-methyl-4-oxo-2-butenoate

2-Butenoic acid,3-methyl-4-oxo-, ethyl ester Specification

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