4-Pentylbenzoic acid
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4-Pentylbenzoic acid
structure -
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CAS No:
26311-45-5
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Formula:
C12H16O2
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Chemical Name:
4-Pentylbenzoic acid
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Synonyms:
Benzoic acid,4-pentyl-;Benzoic acid,p-pentyl-;4-Pentylbenzoic acid;p-Pentylbenzoic acid;p-Amylbenzoic acid;4-n-Pentylbenzoic acid;4-Amylbenzoic acid;NSC 169024
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CAS No:
4-Pentylbenzoic acid Basic Attributes
192.25400
192.25
247-607-9
ET3KL92DDG
169024
DTXSID6067200
2916399090
Characteristics
37.30000
3.11750
White crystalline powder.
1.043 g/cm3
88 °C
260.7ºC (746 mmHg)
149.7ºC
insoluble
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
0.000198mmHg at 25°C
Safety Information
3
R36/37/38
S26-S36
DH6273000
Xi
Stable under normal temperatures and pressures.
|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 70 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:192.25
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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