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| CAS No.: | 26311-45-5 |
|---|---|
| Name: | 4-Pentylbenzoic acid |
| 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 |
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| 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 |
|---|---|
| With palladium 10% on activated carbon In 1,3,5-trimethyl-benzene at 200℃; Diels-Alder reaction; regioselective reaction; | 85% |
| Conditions | Yield |
|---|---|
| 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 |
- 6853-57-2
4-pentylbenzaldehyde
- 26311-45-5
4-pentylbenzoic acid
| Conditions | Yield |
|---|---|
| With jones reagent In acetone for 0.5h; Ambient temperature; |
- 26311-45-5
4-pentylbenzoic acid
| Conditions | Yield |
|---|---|
| With sodium hypobromide |
| Conditions | Yield |
|---|---|
| Multistep reaction.; | 10 mg |
- 538-68-1
pentylbenzene
- 26311-45-5
4-pentylbenzoic acid
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 16h; | 99% |
| With lithium aluminium tetrahydride In tetrahydrofuran | 60% |
| With lithium aluminium tetrahydride |
- 26311-45-5
4-pentylbenzoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In tetrahydrofuran; water | 94% |
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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
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
Chemical Stability:Stable under normal pressures and temperatures.
Incompatibilities with Other Materials:Strong oxidizing agents.
Hazardous Decomposition Products: carbon monoxide, carbon dioxide.