-
Name
Ethyl 3-methylbenzoate
- EINECS 204-386-3
- CAS No. 120-33-2
- Article Data72
- CAS DataBase
- Density 1.025 g/cm3
- Solubility
- Melting Point
- Formula C10H12O2
- Boiling Point 234.6 °C at 760 mmHg
- Molecular Weight 164.204
- Flash Point 101.1 °C
- Transport Information
- Appearance clear colorless to pale yellow liquid
- Safety 24/25-36-26
- Risk Codes 36/37/38
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms m-Toluicacid, ethyl ester (6CI,7CI,8CI);3-Methylbenzoic acid ethyl ester;Ethyl3-methylbenzoate;Ethyl m-methylbenzoate;Ethyl m-toluate;NSC 20009;
- PSA 26.30000
- LogP 2.17170
Ethyl 3-methylbenzoate Specification
The Ethyl 3-methylbenzoate ,its cas register number is 120-33-2.It also can be called as Benzoic acid, 3-methyl-, ethyl ester and the IUPAC name about this chemicals is Ethyl 3-methylbenzoate .It belongs to the following product categories, such as Pharmaceutical Intermediates, Aromatic Esters and so on. Preparation Products about this chemical is 3-(Piperidinomethyl)benzaldehyde .
Following are the chemical properties about Ethyl 3-methylbenzoate :(1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 26.3Å2; (5)Index of Refraction: 1.504; (6)Molar Refractivity: 47.48 cm3; (7)Molar Volume: 160.1 cm3; (8)Polarizability: 18.82x10-24cm3; (9)Surface Tension: 35 dyne/cm; (10)Enthalpy of Vaporization: 47.13 kJ/mol; (11)Vapour Pressure: 0.0524 mmHg at 25°C; (12) Refractive index: 1.5055-1.5075.
3-Methyl-benzoic acid react with ethanol can get Ethyl 3-methylbenzoate, also 1-Iodo-3-methyl-benzene and Carbon monoxide react with ethanol can get this chemical. This chemical react with 1-Methanesulfinyl-4-methyl-benzene can get 2-(Toluene-4-sulfinyl)-1-m-tolyl-ethanone.
The Ethyl 3-methylbenzoate is a clear colorless to pale yellow liquid. It is a dangerous chemical, because it irritating to eyes, respiratory system and skin. In the using process, you need to wear suitable protective clothing, Also you need to avoid contact with skin and eyes and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
This chemical can be described computed from structure:
(1)Canonical SMILES: CCOC(=O)C1=CC(=CC=C1)C
(2)InChI: InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
(3)InChIKey: WSJNYOVBJSOQST-UHFFFAOYSA-N
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