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CAS No.: | 26311-45-5 |
---|---|
Name: | 4-Pentylbenzoic acid |
Article Data: | 17 |
Molecular Structure: | |
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: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 37.30000 |
LogP: | 3.11750 |
Conditions | Yield |
---|---|
(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran -78 deg C, 10 min, 20 deg C, 3.5 h; | 87% |
Conditions | Yield |
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With palladium 10% on activated carbon In 1,3,5-trimethyl-benzene at 200℃; Diels-Alder reaction; regioselective reaction; | 85% |
Conditions | Yield |
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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% |
Conditions | Yield |
---|---|
With carbon disulfide; aluminium trichloride |
4-pentylbenzaldehyde
4-pentylbenzoic acid
Conditions | Yield |
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With jones reagent In acetone for 0.5h; Ambient temperature; |
4-pentylbenzoic acid
Conditions | Yield |
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With sodium hypobromide |
Conditions | Yield |
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Multistep reaction.; | 10 mg |
pentylbenzene
4-pentylbenzoic acid
Conditions | Yield |
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Multi-step reaction with 2 steps 1: trifluoroacetic acid / 80 °C 2: Jones reagent / acetone / 0.5 h / Ambient temperature View Scheme |
4-pentylbenzoic acid
4-n-pentylbenzyl alcohol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 16h; | 99% |
With lithium aluminium tetrahydride In tetrahydrofuran | 60% |
With lithium aluminium tetrahydride |
4-pentylbenzoic acid
Conditions | Yield |
---|---|
With sodium hydroxide In tetrahydrofuran; water | 94% |
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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
4-Pentylbenzoic acid(26311-45-5) can be used as intermediates of Liquid Crystals.
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 . |
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
Chemical Stability:Stable under normal pressures and temperatures.
Incompatibilities with Other Materials:Strong oxidizing agents.
Hazardous Decomposition Products: carbon monoxide, carbon dioxide.