3,4-Dimethylphenylacetic Acid
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3,4-Dimethylphenylacetic Acid
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CAS No:
17283-16-8
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Formula:
C10H12O2
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Chemical Name:
3,4-Dimethylphenylacetic Acid
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Synonyms:
(3,4-dimethylphenyl)acetic acid(SALTDATA: FREE);3,4-Dimethyl-Benzeneacetic Acid;2-(3,4-Dimethylphenyl);Benzeneacetic acid, 3,4-dimethyl-
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CAS No:
Characteristics
37.3
2.3
Solid
1.1±0.1 g/cm3
297.3°C at 760 mmHg
194.4±13.9 °C
1.542
Slightly soluble in water.
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3,4-Dimethylphenylacetic Acid Use and Manufacturing
1 L three-neck bottle, under the protection of nitrogen, adding 300 g 30percent hydrochloric acid. Heating to 80 - 95 °C. Adding 200 g intermediate 1 - (2, 2, 2 - trichloro-ethyl) - 3, 4 - dimethylphenyl. The completion of the dropping, thermal insulation reaction 10 hours. The reaction is finished. The system lower the temperature quenching. Filtering, washing, drying to obtain crude 190 g. For 200 g toluene recrystallization to obtain pure product 3, 4 - dimethyl phenylacetic acid 101.1 g, melting point 87 - 89 °C, HPLC purity is greater than 99 wt percent.
Computed Properties
Molecular Weight:164.20
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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