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1,3-Dimethoxybenzene

1,3-Dimethoxybenzene structure

CAS No:
151-10-0
Formula:
C8H10O2
Chemical Name:
1,3-Dimethoxybenzene
Synonyms:
Benzene,1,3-dimethoxy-;Benzene,m-dimethoxy-;1,3-Dimethoxybenzene;m-Dimethoxybenzene;Resorcinol dimethyl ether;3-Methoxyanisole;m-Methoxyanisole;NSC 8699;3-Methoxyphenyl methyl ether;2,4-Dimethoxybenzene;28000-65-9;2104659-85-8
Categories:
Cosmetic Ingredient > Perfuming

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Description

Liquid

Liquid|Colourless liquid with a very powerful sweet-earthy, intensely, nut-like aroma

1,3-Dimethoxybenzene is a member of methoxybenzenes.

1,3-Dimethoxybenzene Basic Attributes

Molecular Weight：

138.16

Exact Mass：

138.16

BRN：

878582

EC Number：

205-783-4

UNII：

2694Z07HQY

NSC Number：

8699

DSSTox ID：

DTXSID2047060

HScode：

29093090

Characteristics

PSA：

18.5

XLogP3：

2.2

Appearance：

Clear colorless to slightly brown Liquid

Density：

0.965 g/cm³ @ Temp: 13 °C

Melting Point：

-52 °C

Boiling Point：

217.5 °C

Flash Point：

190 °F

Refractive Index：

1.488

Water Solubility：

Miscible with toluene.

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.195mmHg at 25°C

Safety Information

Transport codes：

NA 1993 / PGIII

wgk germany：

hazard class code：

36/37/38

safety instructions：

24/25

RTECS Number：

CZ6474000

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P210, P280, P370+P378, P403+P235, P501

Hazard Statements：

H227

GHS Classification：

Warning|H227: Combustible liquid [Warning Flammable liquids]|P210, P280, P370+P378, P403+P235, and P501

Drug Information

MeSH Entry Terms：

1,3-dimethoxybenzene

1,3-Dimethoxybenzene Use and Manufacturing

Methods of Manufacturing

1, 3-Dimethoxybenzene is made by reacting resorcinol with dimethyl sulfate. Mix resorcinol with sodium hydroxide solution, add dimethyl sulfate under stirring, carry out methylation reaction at 26-30°C, and then separate, wash and distill to obtain finished products. In the laboratory preparation, add resorcinol (1mol), 200mL methanol and dimethyl sulfate (1mol) into the reactor, stir to dissolve, cool to -5℃ with an ice salt bath, immediately add 150g potassium hydroxide and 350mL The solution prepared with water reacted violently and the methylation reaction was completed within 3 minutes. After stirring for 5 minutes, add water to dilute, separate the oil layer, extract the water layer with ether, combine the oil layer and the ether extract, wash with water, dry with anhydrous calcium chloride, recover the ether on the water bath, and then heat and distill with direct fire to collect From the 216～218℃ fraction, 124g of 1, 3-dimethoxybenzene can be obtained with a yield of 90%.

Uses

It is used as an intermediate in organic synthesis, and undergoes a Volcker reaction with benzoyl chloride under the catalyst of aluminum trichloride to obtain 2,4-dimethoxybenzophenone. This is an intermediate of ultraviolet absorber UV-9.

Intermediates

Production

25,000 - 100,000 lb

Manufacturing Info：

All other basic organic chemical manufacturing|Benzene, 1,3-dimethoxy-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:138.16
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:138.068079557
Monoisotopic Mass:138.068079557
Topological Polar Surface Area:18.5
Heavy Atom Count:10
Complexity:83.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Calcium chloride

Resorcinol

Trimethyl borate

Potassium hydroxide

Dimethyl sulfate

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CAS No.: 151-10-0

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Guide of 1,3-Dimethoxybenzene

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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1,3-Dimethoxybenzene

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