4-(1,1-Dimethylethyl)benzeneacetic acid
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4-(1,1-Dimethylethyl)benzeneacetic acid
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CAS No:
32857-63-9
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Formula:
C12H16O2
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Chemical Name:
4-(1,1-Dimethylethyl)benzeneacetic acid
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Synonyms:
Benzeneacetic acid,4-(1,1-dimethylethyl)-;Acetic acid,(p-tert-butylphenyl)-;4-(1,1-Dimethylethyl)benzeneacetic acid;(p-tert-Butylphenyl)acetic acid;(4-tert-Butylphenyl)acetic acid;4-tert-Butylbenzeneacetic acid;BTS 10335;2-(4-tert-Butylphenyl)acetic acid;4-Tert-butylphenylacetic acid
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CAS No:
4-(1,1-Dimethylethyl)benzeneacetic acid Basic Attributes
192.25
192.25
251-264-0
DTXSID9067728
2916399090
Characteristics
37.30000
2.61120
Almost white crystalline powder
1.047±0.06 g/cm3
79-80 °C @ Solvent: Ligroine
302.8±11.0 °C(Predicted)
199.9ºC
4.41±0.10
Safety Information
IRRITANT
36/37/38-22
26-36/37/39
Xi,Xn
|Warning|H302 (33.33%): 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|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-(1,1-Dimethylethyl)benzeneacetic acid Use and Manufacturing
Benzeneacetic acid, 4-(1,1-dimethylethyl)-: INACTIVE
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Fenazaquin metabolite NN6 is a known environmental transformation product of Fenazaquin.
Computed Properties
Molecular Weight:192.25
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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