CAS No.89-71-4,Methyl o-toluate Suppliers,MSDS download

Products Categories

Pharmaceutical (66)
Organic Chemicals (24)
Others (13)
Reagent (8)
Materials (2)
Food Additives (1)
Agrochemicals (1)
Dyestuff and Pigment (1)
Catalyst and Auxiliary (1)

Basic Information

Molecular Structure:
CAS No.:	89-71-4
Name:	Methyl o-toluate
Article Data:	173

Formula:	C₉H₁₀O₂
Molecular Weight:	150.177
Synonyms:	o-Toluicacid, methyl ester (6CI,7CI,8CI);2-Methylbenzoic acid methyl ester;2-Toluicacid methyl ester;Methyl 2-methylbenzoate;Methyl 2-toluate;Methylo-methylbenzoate;Methyl orthotoluate;NSC 9402;
EINECS:	201-932-2
Density:	1.045 g/cm³
Melting Point:	-50ºC
Boiling Point:	215 °C at 760 mmHg
Flash Point:	82.2 °C
Solubility:	Not miscible or difficult to mix in water.
Appearance:	clear colorless liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26-36
PSA:	26.30000
LogP:	1.78160

Synthetic route

: 67-56-1
methanol

: 89-95-2
2-methyl-benzyl alcohol

: 89-71-4
2-Methyl-benzoic acid methyl ester

Conditions

Conditions	Yield
Stage #1: methanol With sodium tetrachloroaurate(III) dihyrate; potassium carbonate at 20℃; for 0.0166667h; Green chemistry; Stage #2: 2-methyl-benzyl alcohol at 20℃; for 0.0333333h; Green chemistry; Stage #3: With oxygen at 80℃; under 760.051 Torr; Autoclave; Green chemistry;	94%
With Au#Co; oxygen; potassium carbonate at 80℃; under 750.075 Torr; for 7h; Autoclave;	94%
With potassium carbonate at 80℃; under 750.075 Torr; for 6h;	91.7%

: 118-90-1
ortho-methylbenzoic acid

: 67-56-1
methanol

: 89-71-4
2-Methyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With sulfuric acid for 41h; Heating;	93%
With sulfuric acid for 4h; Heating;	90%
With beef pancreas lipase at 20℃; for 5h;	86%

: 118-90-1
ortho-methylbenzoic acid

: 74-88-4
methyl iodide

: 89-71-4
2-Methyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With sodium hydrogencarbonate In N-methyl-acetamide	90.6%
With potassium carbonate In acetone; acetonitrile at 20 - 50℃; for 2h; Inert atmosphere;
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 10h; Inert atmosphere; Sealed tube;
In acetonitrile for 8h; Inert atmosphere; Alkaline conditions;

: 24424-99-5
di-tert-butyl dicarbonate

: 91994-11-5
5,5-dimethyl-2-(o-tolyl)-1,3,2-dioxaborinane

: 74-88-4
methyl iodide

: 89-71-4
2-Methyl-benzoic acid methyl ester

Conditions

Conditions	Yield
Stage #1: di-tert-butyl dicarbonate; 5,5-dimethyl-2-(o-tolyl)-1,3,2-dioxaborinane With 4,4'-dimethyl-2,2'-bipyridines; lithium methanolate; copper(l) chloride In N,N-dimethyl acetamide at 30℃; for 6h; Inert atmosphere; Schlenk technique; Stage #2: methyl iodide In N,N-dimethyl acetamide at 30℃; for 2h; Schlenk technique;	85%

...Expand

: 67-56-1
methanol

: 529-20-4
2-methylphenyl aldehyde

: 89-71-4
2-Methyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With triethylamine; Azobenzene In tetrahydrofuran at 20℃; for 24h;	97%
With urea hydrogen peroxide adduct; p-toluenesulfonyl chloride at 60℃; for 8h;	88%
With dihydrogen peroxide; bromine In dichloromethane; water for 4h; Reflux;	87%

: 67-56-1
methanol

: 95-46-5
2-methylphenyl bromide

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

A: 89-71-4
2-Methyl-benzoic acid methyl ester

B: 6639-19-6
N,N,2-trimethylbenzamide

Conditions

Conditions	Yield
Stage #1: 2-methylphenyl bromide With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran; hexane at -78 - 20℃; for 2h; Stage #3: methanol Further stages;	A 78% B 7%

...Expand

: 67-56-1
methanol

: 933-88-0
ortho-toluoyl chloride

: 89-71-4
2-Methyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With triethylamine at 20℃; for 0.5h;
With triethylamine In dichloromethane at 0℃;
at 0 - 5℃;
With triethylamine In dichloromethane at 0℃; Inert atmosphere;	1.42 g

: 577-16-2, 122382-54-1
2-Methylacetophenone

: 89-71-4
2-Methyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With oxygen; 1-(n-butyl)-3-methylimidazolium triflate at 20℃; for 0.333333h; Baeyer-Villiger Ketone Oxidation; Electrochemical reaction; Green chemistry;	94%

: 201230-82-2
carbon monoxide

: 95-46-5
2-methylphenyl bromide

A: 118-90-1
ortho-methylbenzoic acid

B: 89-71-4
2-Methyl-benzoic acid methyl ester

Conditions

Conditions	Yield
With methanol; tert-Amyl alcohol; sodium hydride; cobalt(II) acetate In tetrahydrofuran at 40℃; under 760 Torr; for 18h; Irradiation;	A 9.5% B 53%

...Expand

: 118-90-1
ortho-methylbenzoic acid

: 89-71-4
2-Methyl-benzoic acid methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: oxalyl chloride / CH2Cl2; dimethylformamide / 2 h / Heating 2.1: pyridine / CH2Cl2 / 20 h 3.1: Na2HPO4 / acetonitrile / 20 °C 3.2: 94 percent / aq. NaHCO3 / 18 h View Scheme
Multi-step reaction with 3 steps 1.1: oxalyl chloride / CH2Cl2; dimethylformamide / 2 h / Heating 2.1: pyridine / CH2Cl2 / 20 h 3.1: Na2HPO4 / acetonitrile / 20 °C 3.2: 87 percent / aq. NaHCO3 / 18 h View Scheme
With sulfuric acid In methanol; water

Total:101 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

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)

What can I do for you?
Get Best Price

Get Best Price for 89-71-4

Specification

The Benzoic acid,2-methyl-, methyl ester is an organic compound with the formula C₉H₁₀O₂. The IUPAC name of this chemical is methyl 2-methylbenzoate. With the CAS registry number 89-71-4, it is also named as o-Toluic acid, methyl ester. The product's categories are Carboxylicester; Aromatic Esters. Besides, it is a clear colorless liquid, which should be stored in a closed cool and dry place. It is used for organic synthesis.

Physical properties about Benzoic acid,2-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: 82.2 °C; (18)Enthalpy of Vaporization: 45.13 kJ/mol; (19)Boiling Point: 215 °C at 760 mmHg; (20)Vapour Pressure: 0.151 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-benzoic acid and methanol. This reaction will need reagent H₂SO₄.

Uses of Benzoic acid,2-methyl-, methyl ester: it can be used to produce 2-bromomethyl-benzoic acid methyl ester. It will need reagent NBS and solvent CCl₄.

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, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccccc1C
(2)InChI: InChI=1/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3
(3)InChIKey: WVWZECQNFWFVFW-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3
(5)Std. InChIKey: WVWZECQNFWFVFW-UHFFFAOYSA-N