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26311-45-5

Basic Information
CAS No.: 26311-45-5
Name: 4-Pentylbenzoic acid
Article Data: 17
Molecular Structure:
Molecular Structure of 26311-45-5 (4-Pentylbenzoic acid)
Formula: C12H16O2
Molecular Weight: 192.258
Synonyms: Benzoicacid, p-pentyl- (8CI);4-Amylbenzoic acid;4-n-Pentylbenzoic acid;NSC 169024;p-Amylbenzoic acid;p-Pentylbenzoic acid;
EINECS: 247-607-9
Density: 1.043 g/cm3
Melting Point: 85-90 °C
Boiling Point: 315.3 °C at 760 mmHg
Flash Point: 149.7 °C
Solubility: insoluble in water
Appearance: white to light yellow crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 37.30000
LogP: 3.11750
Synthetic route
586-76-5

4-Bromobenzoic acid

693-25-4

n-pentylmagnesium bromide

26311-45-5

4-pentylbenzoic acid

Conditions
ConditionsYield
(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran -78 deg C, 10 min, 20 deg C, 3.5 h;87%
592-76-7

1-Heptene

500-05-0

2H-pyran-2-one-5-carboxylic acid

26311-45-5

4-pentylbenzoic acid

Conditions
ConditionsYield
With palladium 10% on activated carbon In 1,3,5-trimethyl-benzene at 200℃; Diels-Alder reaction; regioselective reaction;85%
124-38-9

carbon dioxide

121219-12-3

(4-pentylphenyl)boronic acid

26311-45-5

4-pentylbenzoic acid

Conditions
ConditionsYield
With chloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]copper(I); potassium methanolate In tetrahydrofuran at 70℃; for 24h; Schlenk technique; Sealed tube;71%
79-37-8

oxalyl dichloride

538-68-1

pentylbenzene

26311-45-5

4-pentylbenzoic acid

Conditions
ConditionsYield
With carbon disulfide; aluminium trichloride
6853-57-2

4-pentylbenzaldehyde

26311-45-5

4-pentylbenzoic acid

Conditions
ConditionsYield
With jones reagent In acetone for 0.5h; Ambient temperature;
1-<4-pentyl-phenyl>-ethanone-(1)

1-<4-pentyl-phenyl>-ethanone-(1)

26311-45-5

4-pentylbenzoic acid

Conditions
ConditionsYield
With sodium hypobromide
628-17-1

amyl iodide

619-58-9

4-iodobenzoic acid

26311-45-5

4-pentylbenzoic acid

Conditions
ConditionsYield
Multistep reaction.;10 mg
538-68-1

pentylbenzene

26311-45-5

4-pentylbenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: trifluoroacetic acid / 80 °C
2: Jones reagent / acetone / 0.5 h / Ambient temperature
View Scheme
26311-45-5

4-pentylbenzoic acid

81720-37-8

4-n-pentylbenzyl alcohol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 16h;99%
With lithium aluminium tetrahydride In tetrahydrofuran60%
With lithium aluminium tetrahydride
26311-45-5

4-pentylbenzoic acid

4-pentylphenylbenzylalcohol

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran; water94%
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Chemistry

Molecular Formula:C12H16O2
Molar mass:192.25424 g/mol
Structure of 4-Pentylbenzoic acid(26311-45-5):
         
Synonyms of 4-Pentylbenzoic acid(26311-45-5):4-n-Pentylbenzoic acid;p-n-Pentyl benzoic acid;Benzoic acid, 4-pentyl-;p-Pentylbenzoic acid;Para-Pentylbenzoic acid;4-Amylbenzoic acid;p-Amylbenzoic acid
Density:1.043 g/cm3          
Flash Point:149.7 °C                                
Boiling Point:315.3 °C at 760 mmHg             
Index of Refraction:1.526               
Vapour Pressure:0.000187 mmHg at 25°C       
Melting point:85-90°C
Water solubility:insoluble

Uses

4-Pentylbenzoic acid(26311-45-5) can be used as intermediates of Liquid Crystals.

Toxicity Data With Reference

1.    

ivn-mus LD50:56 mg/kg

    CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#10073 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes:Xi
Risk Statements:
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin 
Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing

Specification

Conditions to Avoid:Incompatible materials. 
Chemical Stability:Stable under normal pressures and temperatures. 
Incompatibilities with Other Materials:Strong oxidizing agents.
Hazardous Decomposition Products:  carbon monoxide, carbon dioxide.