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3-OXO-3-P-TOLYL-PROPIONIC ACID ETHYL ESTER

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Name

3-OXO-3-P-TOLYL-PROPIONIC ACID ETHYL ESTER

EINECS N/A
CAS No. 27835-00-3 Density 1.084 g/cm3
PSA 43.37000 LogP 2.13090
Solubility N/A Melting Point 93 °C(Solv: chloroform (67-66-3); ligroine (8032-32-4))
Formula C12H14O3 Boiling Point 292.8 °C at 760 mmHg
Molecular Weight 206.241 Flash Point 125.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 27835-00-3 (3-OXO-3-P-TOLYL-PROPIONIC ACID ETHYL ESTER) Hazard Symbols N/A
Synonyms

Aceticacid, p-toluoyl-, ethyl ester (8CI);2-(4-Methylbenzoyl)acetic acid ethylester;3-(4-Methylphenyl)-3-oxo-propionic acid ethyl ester;Ethyl(4-methylbenzoyl)acetate;Ethyl 2-(4-methylbenzoyl)acetate;Ethyl2-(p-methylbenzoyl)acetate;Ethyl 3-(4-methylphenyl)-3-oxopropanoate;Ethyl3-oxo-3-(4-tolyl)propionate;Ethyl 3-p-tolyl-3-oxopropionate;Ethyl 4-methyl-b-oxobenzenepropanoate;Ethylp-methylbenzoylacetate;Ethyl p-toluoylacetate;NSC 158544;p-Methylbenzoylacetic acid ethyl ester;

Article Data 74

3-OXO-3-P-TOLYL-PROPIONIC ACID ETHYL ESTER Specification

The CAS register number of 3-OXO-3-P-TOLYL-PROPIONIC ACID ETHYL ESTER is 27835-00-3. It also can be called as Ethyl(4-methylbenzoyl)acetate and the systematic name about this chemical is ethyl 3-(4-methylphenyl)-3-oxopropanoate. The molecular formula about this chemical is C12H14O3 and the molecular weight is 206.24. It belongs to the following product categories which include C12 to C63; Carbonyl Compounds; Esters and so on. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed.

Physical properties about 3-OXO-3-P-TOLYL-PROPIONIC ACID ETHYL ESTER are: (1)ACD/LogP: 2.33; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 43.37 Å2; (5)Index of Refraction: 1.508; (6)Molar Refractivity: 56.77 cm3; (7)Molar Volume: 190.2 cm3; (8)Polarizability: 22.5x10-24cm3; (9)Surface Tension: 38.5 dyne/cm; (10)Density: 1.084 g/cm3; (11)Flash Point: 125.3 °C; (12)Enthalpy of Vaporization: 53.23 kJ/mol; (13)Boiling Point: 292.8 °C at 760 mmHg; (14)Vapour Pressure: 0.00179 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)C)CC(=O)OCC
(2)InChI: InChI=1/C12H14O3/c1-3-15-12(14)8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
(3)InChIKey: GEQMJBPKCOZHMV-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C12H14O3/c1-3-15-12(14)8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
(5)Std. InChIKey: GEQMJBPKCOZHMV-UHFFFAOYSA-N

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