p-cumic acid

CAS No. 536-66-3

Formula: C10H12O2
Basic Info

4-(1-Methylethyl)benzoic Acid is used in the synthesis of quinuclidine benzamides as agonists for nicotinic acetylcholine receptors. Also used in the synthesis of nifuroxazide analogues showing antimicrobial activity against methicillin-resistant Staphylococcus.

Formula
C10H12O2
Molecular Weight
164.201
Exact Mass
164.084
LogP
2.5082
PSA
37.3
Synonyms

4-Isopropylbenzoic Acid

4-propan-2-ylbenzoic acid

CuMinic Acid

Benzoic acid, 4-(1-methylethyl)-

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Properties
Appearance & Physical State
white crystalline powder
Density
1.08g/cm3
Boiling Point
271.8ºC at 760 mmHg
Melting Point
116-120ºC
Flash Point
128.1ºC
Refractive Index
1.535
Water Solubility
sparingly soluble
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Storage Condition
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Info
RTECS
DH3850500
Safety Statements
S26-S36/37/39
WGK Germany
3
Risk Statements
R20/21/22; R36/37/38
HS Code
2916399090
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : KBr disc
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Mass Spectrum Mass spectrum (electron ionization)
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Related Compound Information

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