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| CAS No.: | 99046-13-6 |
|---|---|
| Name: | METHYL 4-(2-METHOXYPHENYL)-4-OXOBUTANOATE |
| Article Data: | 4 |
| Molecular Structure: | |
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|
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| Formula: | C12H14O4 |
| Molecular Weight: | 222.241 |
| Synonyms: | Propionicacid, 3-o-anisoyl-, methyl ester (5CI); |
| Density: | 1.122 g/cm3 |
| Boiling Point: | 345.4 °C at 760 mmHg |
| Flash Point: | 152.4 °C |
| Hazard Symbols: |
 Xi, F
|
| PSA: | 52.60000 |
| LogP: | 1.83110 |
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- Total:3 Page 1 of 1 1
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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