2-(4-Methylphenyl)propanoic acid
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2-(4-Methylphenyl)propanoic acid
structure -
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CAS No:
938-94-3
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Formula:
C10H12O2
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Chemical Name:
2-(4-Methylphenyl)propanoic acid
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Synonyms:
2-(p-Tolyl)propionic acidalpha,4-Dimethylphenylacetic acid;2-(4-Methylphenyl)pr;2-(p-Tolyl)propionic acid, 98% 5GR;α-(p-Tolyl)propionic Acid;α,4-DiMethylbenzeneacetic Acid;Ibuprofen IMpurity-D -(EP);Ibuprofen EP Impurity D;5932B+5242:5246
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CAS No:
Description
clear yellow liquid after melting
α,4-Dimethylphenylacetic acid is also referred to as 2-(4-methylphenyl)propanoic acid. It is an alkaline decomposition product of azalomycin-B, a macrolide antibiotic produced byStreptomyces hygroscopicusvar. azalomyceticus. The reaction of pinonic acid with bromine in water affords 2-(4-methylphenyl)propanoic acid.
2-(4-Methylphenyl)propanoic acid Basic Attributes
164.2
164.083725
2251315
627-324-0
White to Off-White
29163990
Characteristics
37.3
2.3
Solid.
1.0041 (rough estimate)
37-42 °C(lit.)
231.67°C (rough estimate)
175.2±13.9 °C
1.518-1.52
Store in a cool, dry place. Store in a tightly closed container.
4.44±0.10(Predicted)
Sealed in dry,Room Temperature
Safety Information
NONH for all modes of transport
3
Xi
26-36
Xi:Irritant;
P261-P305 + P351 + P338
36/37/38
|Warning|H315 (97.44%): 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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-(4-Methylphenyl)propanoic acid Use and Manufacturing
2-(p-Tolyl)propionic acid is an impurity of Ibuprofen (I140000). Ibuprofen impurity D.
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:157
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(4-Methylphenyl)propanoic acid
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