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Benzoic acid, 4-ethyl-,methyl ester

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Name

Benzoic acid, 4-ethyl-,methyl ester

EINECS N/A
CAS No. 7364-20-7 Density 1.025 g/cm3
PSA 26.30000 LogP 2.03560
Solubility N/A Melting Point N/A
Formula C10H12O2 Boiling Point 238.2 °C at 760 mmHg
Molecular Weight 164.204 Flash Point 103.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 7364-20-7 (METHYL 4-ETHYLBENZOATE) Hazard Symbols IrritantXi
Synonyms

Benzoicacid, p-ethyl-, methyl ester (6CI,7CI,8CI);Methyl 4-ethylbenzoate;Methylp-ethylbenzoate;methyl 4-ethylbenzoate;Benzoic acid, 4-ethyl-, methyl ester;Methyl 4-ethylbenzoate;4-Ethylbenzoic acid, methyl ester;

Article Data 53

Benzoic acid, 4-ethyl-,methyl ester Specification

The Benzoic acid, 4-ethyl-,methyl ester, with the CAS registry number 7364-20-7, has the systematic name of methyl 4-ethylbenzoate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H12O2.

The characteristics of Benzoic acid, 4-ethyl-,methyl ester are as followings: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 155.74; (6)ACD/BCF (pH 7.4): 155.74; (7)ACD/KOC (pH 5.5): 1291.02; (8)ACD/KOC (pH 7.4): 1291.02; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 47.57 cm3; (15)Molar Volume: 160.1 cm3; (16)Polarizability: 18.86×10-24cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.025 g/cm3; (19)Flash Point: 103.2 °C; (20)Enthalpy of Vaporization: 47.51 kJ/mol; (21)Boiling Point: 238.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0429 mmHg at 25°C.

Preparation of Benzoic acid, 4-ethyl-,methyl ester: This chemical can be prepared by 4-ethyl-benzoyl chloride and methanol; sodium salt. The reaction will need reagent methanol. The reaction time is 48 hours with ambient temperature, and the yield is about 75%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)c1ccc(cc1)CC
(2)InChI: InChI=1/C10H12O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h4-7H,3H2,1-2H3
(3)InChIKey: CAABRJFUDNBRJZ-UHFFFAOYAT

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