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Cas Database

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

4-Pentylbenzoic acid Synthetic route

: 586-76-5
4-Bromobenzoic acid

: 693-25-4
n-pentylmagnesium bromide

: 26311-45-5
4-pentylbenzoic acid

Conditions

Conditions	Yield
(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

Conditions	Yield
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

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%

: 79-37-8
oxalyl dichloride

: 538-68-1
pentylbenzene

: 26311-45-5
4-pentylbenzoic acid

Conditions

Conditions	Yield
With carbon disulfide; aluminium trichloride

: 6853-57-2
4-pentylbenzaldehyde

: 26311-45-5
4-pentylbenzoic acid

Conditions

Conditions	Yield
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

Conditions	Yield
With sodium hypobromide

: 628-17-1
amyl iodide

: 619-58-9
4-iodobenzoic acid

: 26311-45-5
4-pentylbenzoic acid

Conditions

Conditions	Yield
Multistep reaction.;	10 mg

: 538-68-1
pentylbenzene

: 26311-45-5
4-pentylbenzoic acid

Conditions

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

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

: 4-pentylphenylbenzylalcohol

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water	94%

4-Pentylbenzoic acid Chemical Properties

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 Uses

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

4-Pentylbenzoic acid Toxicity Data With Reference

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 .

4-Pentylbenzoic acid Consensus Reports

Reported in EPA TSCA Inventory.

4-Pentylbenzoic acid 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

4-Pentylbenzoic acid 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.

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