CAS No.4685-47-6,3,4-DIMETHYLANISOLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4685-47-6
Name:	3,4-DIMETHYLANISOLE
Article Data:	18

Formula:	C₉H₁₂O
Molecular Weight:	136.194
Synonyms:	Anisole,3,4-dimethyl- (6CI,7CI,8CI);1,2-Dimethyl-4-methoxybenzene;1-Methoxy-3,4-dimethylbenzene;2-Methyl-4-methoxytoluene;3,4-Dimethylanisole;3,4-Dimethylphenol methyl ether;4-Methoxy-1,2-dimethylbenzene;4-Methoxy-o-xylene;
EINECS:	225-142-2
Density:	0.974 g/mL at 25 °C(lit.)
Boiling Point:	203.1 °C at 760 mmHg
Flash Point:	75.6 °C
Appearance:	clear colourless liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25
Transport Information:	1993
PSA:	9.23000
LogP:	2.31200

Synthetic route

: 95-65-8
3,4-Dimethylphenol

: 616-38-6
carbonic acid dimethyl ester

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With dimanganese decacarbonyl at 180℃; for 1h; Reagent/catalyst;	99%

: 95-65-8
3,4-Dimethylphenol

: 77-78-1
dimethyl sulfate

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With sodium hydroxide at 0 - 50℃; for 2h;	96%
With aluminum oxide; potassium hydroxide for 10h; microwave irradiation;	75%
With sodium hydroxide at 90℃;

: 583-71-1
4-bromo-o-xylene

: 124-41-4
sodium methylate

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With copper(I) bromide In methanol at 125 - 130℃; for 4h; Autoclave;	96%

: 95-65-8
3,4-Dimethylphenol

: 74-88-4
methyl iodide

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With potassium hydroxide In methanol; water	81%

: 95-65-8
3,4-Dimethylphenol

: 562-54-9
potassium methyl sulfate

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With sodium hydroxide

: 52289-54-0
4-methoxysalicylaldehyde

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With potassium hydroxide; hydrazine hydrate; diethylene glycol

: 84658-09-3
2-methyl-4-methoxybenzyl chloride

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
palladium on activated charcoal

: 615-60-1
4-chloro-1,2-dimethylbenzene

: 865-33-8
potassium methanolate

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
With 18-crown-6 ether; iodine; chromium(0) hexacarbonyl 1.) diglyme, cyclohexane, reflux, 75 h, 2.) benzene, 60 deg C, 2.0 h, 3.) THF, R.T., 30 min; Yield given. Multistep reaction;

: 100-84-5
1-methoxy-3-methyl-benzene

: 4685-47-6
3,4-dimethylanisole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: POCl3 2: N2H4+H2O; KOH; diethylene glycol View Scheme
Multi-step reaction with 2 steps 1: (chloromethylation) 2: Pd-C View Scheme

: 4685-47-6
3,4-dimethylanisole

: 52289-54-0
4-methoxysalicylaldehyde

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; copper(ll) sulfate pentahydrate In water; acetonitrile at 90℃; for 0.5h;	100%
With dipotassium peroxodisulfate; copper(II) sulfate In water; acetonitrile for 0.5h; Heating;	92%
With ammonium cerium(IV) nitrate In methanol at 27 - 28℃; for 0.0833333h;	86%

Raw Materials

52289-54-0

615-60-1

77-78-1

583-71-1

95-65-8

562-54-9

74-88-4

84658-09-3

Downstream Products

31910-18-6

21883-13-6

610-35-5

95-65-8

Total:34 Page 1 of 1 1

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Specification

This chemical is called Benzene, 4-methoxy-1,2-dimethyl-, and its systematic name is 4-methoxy-1,2-dimethyl-benzene. With the molecular formula of C₉H₁₂O, its molecular weight is 136.19. The CAS registry number of this chemical is 4685-47-6. Additionally, its product categories are Aromatic Ethers; Anisoles, Alkyloxy Compounds & Phenylacetates; Ethers; Organic Building Blocks; Oxygen Compounds.

Other characteristics of the Benzene, 4-methoxy-1,2-dimethyl- can be summarised as followings: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.495; (9)Molar Refractivity: 42.58 cm³; (10)Molar Volume: 145.9 cm³; (11)Polarizability: 16.88×10^-24cm³; (12)Surface Tension: 29.1 dyne/cm; (13)Density: 0.932 g/cm³; (14)Flash Point: 75.6 °C; (15)Enthalpy of Vaporization: 42.14 kJ/mol; (16)Boiling Point: 203.1 °C at 760 mmHg; (17)Vapour Pressure: 0.402 mmHg at 25°C.

Uses of this chemical: The 2,6-Dibromo-1-methoxy-3,4-dimethylbenzene could be obtained by the reactant of Benzene, 4-methoxy-1,2-dimethyl-. This reaction needs the reagent of benzyltrimethylammonium tribromide (BTMA*Br₃), ZnCl₂, and the solvent of acetic acid. The yield is 95 %. This reaction should be taken for 1 hours at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccc(OC)cc1C
2.InChI: InChI=1/C9H12O/c1-7-4-5-9(10-3)6-8(7)2/h4-6H,1-3H3
3.InChIKey: LVUBSVWMOWKPDJ-UHFFFAOYAQ