4-(3-Methylbutoxy)benzoic acid
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4-(3-Methylbutoxy)benzoic acid
structure -
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CAS No:
2910-85-2
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Formula:
C12H16O3
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Chemical Name:
4-(3-Methylbutoxy)benzoic acid
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Synonyms:
Benzoic acid,4-(3-methylbutoxy)-;Benzoic acid,p-(isopentyloxy)-;4-(3-Methylbutoxy)benzoic acid;NSC 71588;4-Isopentyloxybenzoic acid
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CAS No:
Characteristics
46.53000
2.80970
1.082g/cm3
141-142 °C @ Solvent: Ethanol
326.8ºC at 760mmHg
121.5ºC
1.518
Safety Information
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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:208.25
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:208.109944368
Monoisotopic Mass:208.109944368
Topological Polar Surface Area:46.5
Heavy Atom Count:15
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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