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

Name
3-OXO-3-P-TOLYL-PROPIONIC ACID ETHYL ESTER
EINECS
CAS No. 27835-00-3
Article Data74
CAS DataBase
Density 1.084 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 43.37000
LogP 2.13090

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

Product Name

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

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

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