Benzenebutanoic acid, α,γ-dioxo-, methyl ester supplier

Name
METHYL 2,4-DIOXO-4-PHENYLBUTANOATE
EINECS
CAS No. 20577-73-5
Article Data16
CAS DataBase
Density 1.205 g/cm³
Solubility
Melting Point 59-60 °C
Formula C₁₁H₁₀O₄
Boiling Point 335.6 °C at 760 mmHg
Molecular Weight 206.198
Flash Point 149 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2,4-dioxo-4-phenylbutanoate;Methyl 4-hydroxy-2-oxo-4-phenyl-but-3-enoate;
PSA 60.44000
LogP 1.00150

Benzenebutanoic acid, α,γ-dioxo-, methyl ester Specification

The Benzenebutanoic acid, α,γ-dioxo-, methyl ester, with the CAS registry number 20577-73-5, is also known as Methyl 4-hydroxy-2-oxo-4-phenyl-but-3-enoate. This chemical's molecular formula is C₁₁H₁₀O₄ and molecular weight is 206.19. What's more, its IUPAC name is methyl 2,4-dioxo-4-phenylbutanoate.

Physical properties of Benzenebutanoic acid, α,γ-dioxo-, methyl ester are: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 60.44 Å²; (7)Index of Refraction: 1.519; (8)Molar Refractivity: 51.98 cm³; (9)Molar Volume: 171 cm³; (10)Polarizability: 20.6×10^-24cm³; (11)Surface Tension: 44.3 dyne/cm; (12)Density: 1.205 g/cm³; (13)Flash Point: 149 °C; (14)Enthalpy of Vaporization: 57.87 kJ/mol; (15)Boiling Point: 335.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C(=O)CC(=O)C1=CC=CC=C1
(2)InChI: InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
(3)InChIKey: AQYAHPDSJAFBOS-UHFFFAOYSA-N

Product Name

METHYL 2,4-DIOXO-4-PHENYLBUTANOATE

Benzenebutanoic acid, α,γ-dioxo-, methyl ester Specification

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