Benzenebutanoic acid,2-methoxy-g-oxo-, methyl ester supplier

Name
METHYL 4-(2-METHOXYPHENYL)-4-OXOBUTANOATE
EINECS
CAS No. 99046-13-6
Article Data4
CAS DataBase
Density 1.122 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄O₄
Boiling Point 345.4 °C at 760 mmHg
Molecular Weight 222.241
Flash Point 152.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi,F
Synonyms Propionicacid, 3-o-anisoyl-, methyl ester (5CI);
PSA 52.60000
LogP 1.83110

Benzenebutanoic acid,2-methoxy-g-oxo-, methyl ester Specification

The Benzenebutanoic acid,2-methoxy-g-oxo-, methyl ester, with the CAS registry number 99046-13-6, is also known as Methyl 4-(2-methoxyphenyl)-4-oxo-butanoate. This chemical's molecular formula is C₁₂H₁₄O₄ and molecular weight is 222.23716. Its IUPAC name is called methyl 4-(2-methoxyphenyl)-4-oxobutanoate.

Physical properties of Benzenebutanoic acid,2-methoxy-g-oxo-, methyl ester: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): 2.07; (3)ACD/LogD (pH 7.4): 2.07; (4)ACD/BCF (pH 5.5): 22.11; (5)ACD/BCF (pH 7.4): 22.11; (6)ACD/KOC (pH 5.5): 319.21; (7)ACD/KOC (pH 7.4): 319.21; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.504; (11)Molar Refractivity: 58.63 cm³; (12)Molar Volume: 197.9 cm³; (13)Surface Tension: 38.5 dyne/cm; (14)Density: 1.122 g/cm³; (15)Flash Point: 152.4 °C; (16)Enthalpy of Vaporization: 58.94 kJ/mol; (17)Boiling Point: 345.4 °C at 760 mmHg; (18)Vapour Pressure: 6.19E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It also may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=CC=C1C(=O)CCC(=O)OC
(2)InChI: InChI=1S/C12H14O4/c1-15-11-6-4-3-5-9(11)10(13)7-8-12(14)16-2/h3-6H,7-8H2,1-2H3
(3)InChIKey: SQUAOXHPCJIDJM-UHFFFAOYSA-N

Product Name

METHYL 4-(2-METHOXYPHENYL)-4-OXOBUTANOATE

Benzenebutanoic acid,2-methoxy-g-oxo-, methyl ester Specification

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