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Ethyl p-Tolylacetate

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Name

Ethyl p-Tolylacetate

EINECS 237-904-1
CAS No. 14062-19-2 Density 1.018 g/cm3
PSA 26.30000 LogP 2.10060
Solubility N/A Melting Point 62-63
Formula C11H14O Boiling Point 240.068 °C at 760 mmHg
Molecular Weight 178.231 Flash Point 103.616 °C
Transport Information N/A Appearance clear colorless to slightly yellow liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 14062-19-2 (ETHYL P-TOLYLACETATE) Hazard Symbols IrritantXi
Synonyms

Aceticacid, p-tolyl-, ethyl ester (6CI,7CI,8CI);4-Methylbenzeneacetic acid ethylester;Ethyl (4-methylphenyl)acetate;Ethyl 2-(p-tolyl)acetate;Ethyl4-methylbenzeneacetate;Ethyl a-(p-tolyl)acetate;NSC 46878;p-Tolylacetic acid ethylester;

Article Data 52

Ethyl p-Tolylacetate Specification

The Benzeneacetic acid,4-methyl-, ethyl ester, with the CAS registry number 14062-19-2, is also known as Ethyl p-methylphenylacetate. It belongs to Benzene derivatives; Aromatic Esters; C10 to C11; Carbonyl Compounds; Esters. Its EINECS number is 237-904-1. This chemical's molecular formula is C11H14O and molecular weight is 178.23. What's more, its IUPAC name is called ethyl 2-(4-methylphenyl)acetate.
 
Physical properties of  Benzeneacetic acid,4-methyl-, ethyl ester are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 104.14; (6)ACD/BCF (pH 7.4): 104.14; (7)ACD/KOC (pH 5.5): 967.87; (8)ACD/KOC (pH 7.4): 967.87; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 51.66 cm3; (15)Molar Volume: 175 cm3; (16)Surface Tension: 35 dyne/cm; (17)Density: 1.018 g/cm3; (18)Flash Point: 103.6 °C; (19)Enthalpy of Vaporization: 47.7 kJ/mol; (20)Boiling Point: 240.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0387 mmHg at 25°C.

Preparation: this chemical can be prepared by p-tolyl-acetic acid and ethanol. This reaction will need reagent sulfuric acid. The reaction time is 5 hours by heating. The yield is about 83%.

Uses of Benzeneacetic acid,4-methyl-, ethyl ester: it can be used to produce 3-hydroxy-2-p-tolyl-acrylic acid ethyl ester. It will need reagent NaH (80% suspension). The reaction time is 2.5 hours at the ambient temperature. The yield is about 87%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. You should wear suitable protective clothing.
 
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)CC1=CC=C(C=C1)C
(2)InChI: InChI=1S/C11H14O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
(3)InChIKey: BTRGZBIXPLFVNK-UHFFFAOYSA-N

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