2,5-Dimethylbenzeneacetic acid
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2,5-Dimethylbenzeneacetic acid
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CAS No:
13612-34-5
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Formula:
C10H12O2
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Chemical Name:
2,5-Dimethylbenzeneacetic acid
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Synonyms:
Benzeneacetic acid,2,5-dimethyl-;Acetic acid,(2,5-xylyl)-;2,5-Dimethylbenzeneacetic acid;2,5-Dimethylphenylacetic acid;2,5-Xylylacetic acid;2-(2,5-Dimethylphenyl)acetic acid
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CAS No:
2,5-Dimethylbenzeneacetic acid Basic Attributes
164.2
164.20
2502313
237-097-6
263EN9T9PC
DTXSID60159669
29163990
Characteristics
37.3
2.1
Light beige Crystalline Powder
1.098±0.06 g/cm3(Predicted)
128 °C
293.4±9.0 °C(Predicted)
190.5±13.9 °C
1.542
Safety Information
36/37/38
26-36-37/39
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,5-Dimethylbenzeneacetic acid Use and Manufacturing
The same reactor as used in is charged with 20 grams (0.122 mol) of 2, 5-dimethylbenzyl formate, 15 grams (0.151 mol) of N-methylpyrrolidone as solvent and 1.2 grams (0.0038 mol) of cobalt iodide as catalyst, and the reaction is carried out under the same conditions as in Example 12. As a result there is obtained 2, 5-dimethyl phenylacetic acid in a yield of 13.5 grams (0.082 mol).
Computed Properties
Molecular Weight:164.20
XLogP3:2.1
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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