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1-Methoxy-3,5-dimethylbenzene

1-Methoxy-3,5-dimethylbenzene structure

CAS No:
874-63-5
Formula:
C9H12O
Chemical Name:
1-Methoxy-3,5-dimethylbenzene
Synonyms:
Benzene,1-methoxy-3,5-dimethyl-;Anisole,3,5-dimethyl-;1-Methoxy-3,5-dimethylbenzene;3,5-Dimethylanisole;5-Methoxy-m-xylene;5-Methoxy-1,3-dimethylbenzene;5-Methoxy-m-xylene;NSC 406910;3,5-Dimethylphenyl methyl ether
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

clear colourless to light yellow liquid

1-Methoxy-3,5-dimethylbenzene Basic Attributes

Molecular Weight：

136.194

Exact Mass：

136.19

EC Number：

212-865-3

NSC Number：

406910

DSSTox ID：

DTXSID40236326

HScode：

2909309090

Characteristics

PSA：

9.2

XLogP3：

2.7

Appearance：

CLEAR COLOURLESS LIQUID

Density：

0.9±0.1 g/cm3

Melting Point：

-0.2ºC

Boiling Point：

194 °C

Flash Point：

65.6±0.0 °C

Refractive Index：

1.495

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Transport codes：

3271

wgk germany：

safety instructions：

S24/25

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1-Methoxy-3,5-dimethylbenzene Use and Manufacturing

3, 5-xylenol (10g, 0.082mol) and anhydrous potassium carbonate (34g, 0.25mol) were added into DMF (150mL) and then iodomethane (12.8g, 0.090mmol) was dropped under an ice bath. Step 1: At about 0° C., a solution of 3, 5-dimethylphenol (20.0 g, 163.7 mmol) in tetrahydrofuran (50 mL) was added dropwise to a suspension of sodium hydride in mineral oil (60percent in mineral oil, 9.83 g, 245.8 mmol). General procedure: General procedure for the alkylation of phenols with dimethyl carbonate. A 17-mL stainless steel high-pressure micro reactor was charged with 3 mmol of Mn2(CO)10, W(CO)6, or Co2(CO)8, 100 mmol of the corresponding phenol, and 300 mmol of dimethyl carbonate, and the reactor was hermetically closed and heated for 1 h at 180°C. The reactor was then cooled to room temperature and opened, and the mixture was filtered through a layer of alumina. Unreacted dimethyl carbonate was distilled off, and the residue was distilled under atmospheric or reduced pressure or recrystallized from ethanol. 1-Methoxy-3, 5-dimethylbenzene. Yield 99percent, bp 77–78°C (14 mm). 13C NMR spectrum, δC, ppm: 21.36 (2C, CH3), 111.85 (C2, C6), 122.50 (C4), 139.34 (C3, C5), 159.92 (C1). Found, percent: C 79.27; H 8.85. C9H12O. Calculated, percent: C 79.37; H 8.88.

Computed Properties

Molecular Weight:136.19
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:136.088815002
Monoisotopic Mass:136.088815002
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Complexity:90.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 874-63-5

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Guide of 1-Methoxy-3,5-dimethylbenzene

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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1-Methoxy-3,5-dimethylbenzene

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