(3-Methylphenyl)acetic acid
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(3-Methylphenyl)acetic acid
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CAS No:
621-36-3
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Formula:
C9H10O2
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Chemical Name:
(3-Methylphenyl)acetic acid
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Synonyms:
Benzeneacetic acid,3-methyl-;Acetic acid,m-tolyl-;3-Methylbenzeneacetic acid;(3-Methylphenyl)acetic acid;m-Tolylacetic acid;m-Methylphenylacetic acid;3-Tolylacetic acid;NSC 76090;2-(3-Methylphenyl)acetic acid;m-Methylbenzeneacetic acid;2-(m-Tolyl)acetic acid
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CAS No:
Description
m-Tolylacetic acid (3-Methylbenzeneacetic acid) is a hydroaromatic dicarboxylic acids excreted in the urine as metabolite of tolueneacetic acid[1].
Solid
3-methylphenylacetic acid is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-methylphenyl group. It has a role as a fungal xenobiotic metabolite. It is a monocarboxylic acid and a member of benzenes. It derives from an acetic acid.
(3-Methylphenyl)acetic acid Basic Attributes
150.17
150.17
2043549
210-683-9
76090
DTXSID30211147
2916399090
Characteristics
37.30000
1.97
Colorless to off-white Shiny Flakes and Chunks
1.1±0.1 g/cm3
62 °C
120-123 °C
172.7±13.9 °C
1.546
soluble in water.
Safety Information
NONH for all modes of transport
3
36/37/38
26-37/39
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 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:150.17
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:150.068079557
Monoisotopic Mass:150.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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