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94-08-6

Basic Information
CAS No.: 94-08-6
Name: Benzoicacid, 4-methyl-, ethyl ester
Article Data: 222
Cas Database
Molecular Structure:
Molecular Structure of 94-08-6 (Benzoicacid, 4-methyl-, ethyl ester)
Formula: C10H12O2
Molecular Weight: 164.204
Synonyms: p-Toluicacid, ethyl ester (6CI,7CI,8CI);4-Methylbenzoic acid ethyl ester;Ethyl p-methylbenzoate;Ethyl p-toluate;NSC 24767;
EINECS: 202-301-4
Density: 1.025 g/cm3
Melting Point: 131 °C
Boiling Point: 235.7 °C at 760 mmHg
Flash Point: 99.4 °C
Solubility: N/A
Appearance: Clear colorless to pale yellow liquid
Hazard Symbols: 36/37/38:;
Risk Codes: 36/37/38
Safety: 23-24/25
Transport Information: N/A
PSA: 26.30000
LogP: 2.17170
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  • Ethyl 4-methylbenzoate

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Specification

The Benzoicacid, 4-methyl-, ethyl ester is an organic compound with the formula C10H12O2. The IUPAC name of this chemical is ethyl 4-methylbenzoate. With the CAS registry number 94-08-6, it is also named as p-Toluic acid, ethyl ester. The product's categories are Pharmaceutical Intermediates; Aromatic Esters; Acids & Esters. Besides, it is a clear colorless to pale yellow liquid.

Physical properties about Benzoicacid, 4-methyl-, ethyl ester are: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3.19; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 155.74; (5)ACD/BCF (pH 7.4): 155.74; (6)ACD/KOC (pH 5.5): 1291.02; (7)ACD/KOC (pH 7.4): 1291.02; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.504; (12)Molar Refractivity: 47.48 cm3; (13)Molar Volume: 160.1 cm3; (14)Polarizability: 18.82×10-24cm3; (15)Surface Tension: 35 dyne/cm; (16)Density: 1.025 g/cm3; (17)Flash Point: 99.4 °C; (18)Enthalpy of Vaporization: 47.25 kJ/mol; (19)Boiling Point: 235.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0493 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methyl-benzoic acid and ethanol. This reaction will need reagent H2SO4. The reaction time is 36 hours by heating.



Uses of Benzoicacid, 4-methyl-, ethyl ester: it can be used to produce 2-p-tolyl-propan-2-ol. It will need reagent diethyl ether.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1ccc(cc1)C
(2)InChI: InChI=1/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
(3)InChIKey: NWPWRAWAUYIELB-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
(5)Std. InChIKey: NWPWRAWAUYIELB-UHFFFAOYSA-N