CAS No.150-78-7,1,4-Dimethoxybenzene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	150-78-7
Name:	1,4-Dimethoxybenzene
Article Data:	182

Formula:	C₈H₁₀O₂
Molecular Weight:	138.166
Synonyms:	Anisole, p-methoxy-;1, 3-Bis(hydroxymethyl)-2-benzimidazolinone;Benzene, 1,4-dimethoxy-;2-Benzimidazolinone, 1,3-bis(hydroxymethyl)-;Methyl p-methoxyphenyl ether;1,4-Dimethoxybenzol;Benzene, p-dimethoxy-;Hydroquinone dimethyl ether;Dimethyl hydroquinone;
EINECS:	205-771-9
Density:	1.005 g/cm³
Melting Point:	55-58 ºC
Boiling Point:	212.6 °C at 760 mmHg
Flash Point:	73.5 °C
Solubility:	0.8 g/l (20 ºC) in water
Appearance:	white crystals or powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-24/25
PSA:	18.46000
LogP:	1.70380

Synthetic route

: 1200-06-2
4-methoxyphenyl acetate

: 74-88-4
methyl iodide

: 150-78-7
1,4-dimethoxybezene

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide 1.) 0 deg C, 1 h, 2.) 25 deg C;	98%

: 123-31-9
hydroquinone

: 74-88-4
methyl iodide

: 150-78-7
1,4-dimethoxybezene

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 25℃; for 1h;	97%
With potassium hydroxide; tetrabutylammomium bromide at 40℃; for 24h;	96%
With potassium hydroxide

: 67-56-1
methanol

: 696-62-8
para-iodoanisole

: 150-78-7
1,4-dimethoxybezene

Conditions

Conditions	Yield
With N,N-dimethylglycine hydrochoride; caesium carbonate; copper(l) iodide at 110℃; for 24h; Ullmann coupling reaction;	97%
With caesium carbonate In neat (no solvent) at 110℃; for 24h; Inert atmosphere; Sealed tube;	91%
With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate at 110℃; for 23h;	88%

: 67-56-1
methanol

: 623-12-1
4-chloromethoxybenzene

: 150-78-7
1,4-dimethoxybezene

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); t-BuBrettPhos; sodium t-butanolate In 1,4-dioxane at 80℃; for 20h; Concentration; Reagent/catalyst; Solvent; Temperature; Sealed tube; Inert atmosphere;	96%

: 150-76-5
4-methoxy-phenol

: 77-78-1
dimethyl sulfate

: 150-78-7
1,4-dimethoxybezene

Conditions

Conditions	Yield
With sodium hydroxide; N-butyl-N,N-dimethyl-(α-phenyl)ethylammonium bromide In 1,2-dichloro-ethane for 6h; Heating;	95%
With tetrabutylammomium bromide; sodium hydroxide In diethoxymethane; water at 50 - 55℃; for 4h;	86%
With potassium hydroxide In methanol at 20℃; Cooling with ice;	82%
With aluminum oxide; potassium hydroxide for 7h; microwave irradiation;	68%
With sodium hydroxide

: 150-76-5
4-methoxy-phenol

: 18107-18-1
diazomethyl-trimethyl-silane

: 150-78-7
1,4-dimethoxybezene

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In methanol; hexane; acetonitrile for 15h; Ambient temperature;	93%

: 104-92-7
1-bromo-4-methoxy-benzene

: 107-31-3
Methyl formate

: 150-78-7
1,4-dimethoxybezene

Conditions

Conditions	Yield
With copper(I) bromide In methanol; sodium methylate	93%

: 123-31-9
hydroquinone

: 77-78-1
dimethyl sulfate

: 150-78-7
1,4-dimethoxybezene

Conditions

Conditions	Yield
With potassium carbonate In acetone for 12h; Reflux;	92%
Stage #1: hydroquinone With potassium carbonate In acetone for 0.25h; Stage #2: dimethyl sulfate In acetone for 24h; Reflux;	92%
With aluminum oxide; potassium hydroxide for 5h; microwave irradiation;	87%

: 123-31-9
hydroquinone

: 616-38-6
carbonic acid dimethyl ester

: 150-78-7
1,4-dimethoxybezene

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 170℃; for 1h; Microwave irradiation; Green chemistry;	90%
With tetra-(n-butyl)ammonium iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 160℃; under 15001.5 Torr; for 1h; Reagent/catalyst; Time; Temperature; Microwave irradiation;	71%

: 598-99-2
Methyl trichloroacetate

: 150-76-5
4-methoxy-phenol

: 150-78-7
1,4-dimethoxybezene

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate at 150℃; for 2h;	88%

Raw Materials

77-78-1

7732-18-5

460-00-4

99-96-7

74-88-4

62790-87-8

4346-59-2

75-57-0

Downstream Products

200943-34-6

1201-38-3

90064-46-3

636-98-6

705-15-7

13252-84-1

82830-49-7

3410-94-4

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of p-Dimethoxybenzene is 1,4-dimethoxybenzene. With the CAS registry number 150-78-7, it is also named as Hydroquinone dimethyl ether. The product's categories are aromatic ethers; benzene derivates. It is white crystals or powder with alfalfa-like aroma and phenol smell. And it appears to attract bees as it has a powerful response in their antenna. In addition, p-Dimethoxybenzene can be obtained by the reaction of p-Dimethoxybenzene and paradioxybenzene at the present of alkali. Furthermore, it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.19; (6)ACD/BCF (pH 7.4): 23.19; (7)ACD/KOC (pH 7.4): 330.27; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.488; (12)Molar Refractivity: 39.6 cm³; (13)Molar Volume: 137.4 cm³; (14)Polarizability: 15.7×10^-24 cm³; (15)Surface Tension: 29.6 dyne/cm; (16)Enthalpy of Vaporization: 43.06 kJ/mol; (17)Vapour Pressure: 0.25 mmHg at 25°C; (18)Rotatable Bond Count: 2; (19)Exact Mass: 138.06808; (20)MonoIsotopic Mass: 138.06808; (21)Topological Polar Surface Area: 18.5; (22)Heavy Atom Count: 10; (23)Complexity: 73.3.

Uses of p-Dimethoxybenzene: It is used in some paints and as a diazo dye. And it is used in perfumes and flavors in order to its floral odor. In addition, it is used on greasy skin, and with sulfur to treat acne, or as a dandruff treatment. Moreover, this chemical can be used as pharmaceutical intermediate. For example: it react with succinic acid anhydride to get 4-(2,5-dimethoxy-phenyl)-4-oxo-butyric acid. This reaction needs reagent AlCl₃ by heating. The yield is 88%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. so people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. Smiles:c1(ccc(OC)cc1)OC
2. InChI:InChI=1/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	100mg/kg (100mg/kg)		National Technical Information Service. Vol. AD277-689,
mouse	LD50	oral	4gm/kg (4000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 4(2), Pg. 30, 1960.
rat	LD50	oral	3600mg/kg (3600mg/kg)		Food and Cosmetics Toxicology. Vol. 16, Pg. 715, 1978.