Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Methyl 3-methylbenzoate

Related Products

Hot Products

Name

Methyl 3-methylbenzoate

EINECS 202-753-2
CAS No. 99-36-5 Density 1.045 g/cm3
PSA 26.30000 LogP 1.78160
Solubility Insoluble in water. Melting Point N/A
Formula C9H10O2 Boiling Point 221 °C at 760 mmHg
Molecular Weight 150.177 Flash Point 95.6 °C
Transport Information N/A Appearance clear colorless liquid
Safety 26-37/39-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 99-36-5 (Methyl 3-methylbenzoate) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

Methylm-methylbenzoate;Methyl m-toluate;NSC 20004;NSC 69227;m-Toluicacid, methyl ester (6CI,7CI,8CI);3-Methylbenzoic acid methyl ester;Methyl2-methyl-4-benzoate;Methyl 3-toluate;

Article Data 153

Methyl 3-methylbenzoate Specification

The Benzoic acid,3-methyl-, methyl ester is an organic compound with the formula C9H10O2. The IUPAC name of this chemical is methyl 3-methylbenzoate. With the CAS registry number 99-36-5, it is also named as m-Toluic acid, methyl ester. The product's categories are Carboxylicester; Aromatic Esters; C8 to C9; Carbonyl Compounds; Esters. Besides, it is a clear colorless liquid, which should be stored in a ventilated and dry place. It is used as intermediates of  medicine, pesticide and organic synthesis.

Physical properties about Benzoic acid,3-methyl-, methyl ester are: (1)ACD/LogP: 2.66; (2)ACD/LogD (pH 5.5): 2.66; (3)ACD/LogD (pH 7.4): 2.66; (4)ACD/BCF (pH 5.5): 61.46; (5)ACD/BCF (pH 7.4): 61.46; (6)ACD/KOC (pH 5.5): 663.56; (7)ACD/KOC (pH 7.4): 663.56; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.508; (12)Molar Refractivity: 42.85 cm3; (13)Molar Volume: 143.6 cm3; (14)Polarizability: 16.98×10-24cm3; (15)Surface Tension: 35.1 dyne/cm; (16)Density: 1.045 g/cm3; (17)Flash Point: 95.6 °C; (18)Enthalpy of Vaporization: 45.74 kJ/mol; (19)Boiling Point: 221 °C at 760 mmHg; (20)Vapour Pressure: 0.11 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-iodo-benzoic acid methyl ester and tris(diethylamino)sulfonium difluorotrimethylsilicate. This reaction will need catalyst allylpalladium chloride and solvent tetrahydrofuran. The reaction time is 20 hours with reaction temperature of 50 °C. The yield is about 86%.



Uses of Benzoic acid,3-methyl-, methyl ester: it can be used to produce 3-methyl-benzyl alcohol. It will need reagent LiAlH4.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(ccc1)C
(2)InChI: InChI=1/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3
(3)InChIKey: CPXCDEMFNPKOEF-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3
(5)Std. InChIKey: CPXCDEMFNPKOEF-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 99-36-5