4-(1-Methylethoxy)benzoic acid
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4-(1-Methylethoxy)benzoic acid
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CAS No:
13205-46-4
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Formula:
C10H12O3
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Chemical Name:
4-(1-Methylethoxy)benzoic acid
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Synonyms:
Benzoic acid,4-(1-methylethoxy)-;Benzoic acid,p-isopropoxy-;4-(1-Methylethoxy)benzoic acid;4-Isopropoxybenzoic acid;4-(Isopropyloxy)benzoic acid;p-Isopropoxybenzoic acid;4-(2-Propyloxy)benzoic acid;NSC 16646;4-[(Propan-2-yl)oxy]benzoic acid
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CAS No:
4-(1-Methylethoxy)benzoic acid Basic Attributes
180.2
180.20
236-169-4
16646
DTXSID20157323
29189900
Characteristics
46.53000
2.17200
1.13
161 °C
297℃
116℃
1.5160 (estimate)
Insoluble in water.
Store below +30°C.
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
24/25
Xi
|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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:180.20
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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