2,3-Dimethylanisole
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2,3-Dimethylanisole
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CAS No:
2944-49-2
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Formula:
C9H12O
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Chemical Name:
2,3-Dimethylanisole
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Synonyms:
Benzene,1-methoxy-2,3-dimethyl-;Anisole,2,3-dimethyl-;1-Methoxy-2,3-dimethylbenzene;2,3-Dimethylanisole;3-Methoxy-o-xylene;2,3-Dimethylphenol methyl ether;1,2-Dimethyl-6-methoxybenzene;NSC 137144
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CAS No:
2,3-Dimethylanisole Basic Attributes
136.194
136.19
220-948-0
1O9C26L62B
137144
DTXSID60183646
2909309090
Characteristics
9.2
2.5
Colorless liquid.
0.9±0.1 g/cm3
29 °C
199 °C
68.3±0.0 °C
1.495
H2O: immiscible
Store in a cool, dry place. Store in a tightly closed container.
0.582mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36-S24/25
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,3-Dimethylanisole Use and Manufacturing
1) 2, 3-dimethylphenol is dissolved in an equimolar 15percent aqueous solution of sodium hydroxide and added at twice the molar amount at 10-20°C.Dimethyl sulphate was added dropwise, warmed up to 50°C, and kept warm for 2 hours. The mixture was allowed to stand for stratification, and the upper ether layer was taken and washed with a little dilute alkali.This time, 2, 3-dimethylanisole was obtained in a yield of 95percent.KGeneral 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-2, 3-dimethylbenzene. Yield 99percent, bp 95.8–96°C (30 mm). 13C NMR spectrum, δC, ppm: 11.99 (CH3), 20.56 (CH3), 55.83 (OCH3), 110.02 (C6), 122.43 (C4), 124.78 (C2), 128.74 (C5), 137.70 (C3), 157.36 (C1). Found, percent: C 79.29; H 8.82. C9H12O. Calculated, percent: C 79.37percent; H 8.88.
Computed Properties
Molecular Weight:136.19
XLogP3:2.5
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:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes