Product Name

  • Name

    4-Pentylbenzoic acid

  • EINECS 247-607-9
  • CAS No. 26311-45-5
  • Article Data17
  • CAS DataBase
  • Density 1.043 g/cm3
  • 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
  • Appearance white to light yellow crystalline powder
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 26311-45-5 (4-Pentylbenzoic acid)
  • Hazard Symbols IrritantXi
  • Synonyms Benzoicacid, p-pentyl- (8CI);4-Amylbenzoic acid;4-n-Pentylbenzoic acid;NSC 169024;p-Amylbenzoic acid;p-Pentylbenzoic acid;
  • PSA 37.30000
  • LogP 3.11750

Synthetic route

4-Bromobenzoic acid
586-76-5

4-Bromobenzoic acid

n-pentylmagnesium bromide
693-25-4

n-pentylmagnesium bromide

4-pentylbenzoic acid
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%
1-Heptene
592-76-7

1-Heptene

2H-pyran-2-one-5-carboxylic acid
500-05-0

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

4-pentylbenzoic 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%
carbon dioxide
124-38-9

carbon dioxide

(4-pentylphenyl)boronic acid
121219-12-3

(4-pentylphenyl)boronic acid

4-pentylbenzoic 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%
oxalyl dichloride
79-37-8

oxalyl dichloride

pentylbenzene
538-68-1

pentylbenzene

4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

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

4-pentylbenzaldehyde

4-pentylbenzoic acid
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)

4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

Conditions
ConditionsYield
With sodium hypobromide
amyl iodide
628-17-1

amyl iodide

4-iodobenzoic acid
619-58-9

4-iodobenzoic acid

4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

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

pentylbenzene

4-pentylbenzoic acid
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
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

4-n-pentylbenzyl alcohol
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
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

4-pentylphenylbenzylalcohol

4-pentylphenylbenzylalcohol

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran; water94%
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

acetone
67-64-1

acetone

2-oxopropyl 4-pentylbenzoate

2-oxopropyl 4-pentylbenzoate

Conditions
ConditionsYield
With sodium chlorite; potassium iodide at 100℃; for 24h; Schlenk technique;93%
methanol
67-56-1

methanol

4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

methyl 4-pentylbenzoate
26311-44-4

methyl 4-pentylbenzoate

Conditions
ConditionsYield
With acetyl chloride at 0 - 23℃; Inert atmosphere;92%
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

4-trans-pentylcyclohexane-1-carboxylic acid
38289-29-1, 38792-89-1, 67589-84-8

4-trans-pentylcyclohexane-1-carboxylic acid

Conditions
ConditionsYield
Stage #1: 4-pentylbenzoic acid With sodium hydroxide; hydrogen In water at 140 - 150℃; under 22502.3 - 30003 Torr; for 1h;
Stage #2: With sodium hydroxide In water at 260 - 280℃; under 22502.3 - 30003 Torr; for 2h; Further stages.;		88%
With hydrogen Multistep reaction;
In trans-4-butylcyclohexane carboxylic acid80% (43 g)
8-amino quinoline
578-66-5

8-amino quinoline

4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

4-pentyl-N-(quinolin-8-yl)benzamide

4-pentyl-N-(quinolin-8-yl)benzamide

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; Inert atmosphere;86%
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

bis{1,9-(4-hydroxyphenyl)nonane}
115914-43-7

bis{1,9-(4-hydroxyphenyl)nonane}

nonane-1,9-diyl bis(4,1-phenylene) bis(4-pentylbenzoate)

nonane-1,9-diyl bis(4,1-phenylene) bis(4-pentylbenzoate)

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane Steglich Esterification;83%
5-[4-(4-heptylbenzoyl)-phenyl]-2-(4-hydroxyphenyl)-1,3,4-oxadiazole
881650-28-8

5-[4-(4-heptylbenzoyl)-phenyl]-2-(4-hydroxyphenyl)-1,3,4-oxadiazole

4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

2-[4-(4-heptylbenzoyl)-phenyl]-5-[4-(5-pentylbenzoyl)-phenyl]-1,3,4-oxadiazole

2-[4-(4-heptylbenzoyl)-phenyl]-5-[4-(5-pentylbenzoyl)-phenyl]-1,3,4-oxadiazole

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran at 20℃; for 48h;80%
(3S,3αS,6R,8S,9βS)-6,8-dihydroxy-3,6,9-trimethyl-3α,4,5,6,6α,7,8,9β-octahydroazuleno[4,5-β]furan-2(3H)-one
1188382-13-9

(3S,3αS,6R,8S,9βS)-6,8-dihydroxy-3,6,9-trimethyl-3α,4,5,6,6α,7,8,9β-octahydroazuleno[4,5-β]furan-2(3H)-one

4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

(3S,6R,8S)-6-hydroxy-3,6,9-trimethyl-2-oxo-2,3,3α,4,5,6,6α,7,8,9β-decahydroazuleno[4,5-β]furan-8-yl 4-pentylbenzoate

(3S,6R,8S)-6-hydroxy-3,6,9-trimethyl-2-oxo-2,3,3α,4,5,6,6α,7,8,9β-decahydroazuleno[4,5-β]furan-8-yl 4-pentylbenzoate

Conditions
ConditionsYield
Stage #1: (3S,3αS,6R,8S,9βS)-6,8-dihydroxy-3,6,9-trimethyl-3α,4,5,6,6α,7,8,9β-octahydroazuleno[4,5-β]furan-2(3H)-one; 4-pentylbenzoic acid With dmap In dichloromethane at 20℃; for 0.166667h;
Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane		80%
5-[4-(4-dodecyloxybenzoyl)-phenyl]-2-(4-hydroxyphenyl)-1,3,4-oxadiazole
881649-30-5

5-[4-(4-dodecyloxybenzoyl)-phenyl]-2-(4-hydroxyphenyl)-1,3,4-oxadiazole

4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

2-[4-(4-dodecyloxybenzoyl)-phenyl]-5-[4-(4-pentylbenzoyl)-phenyl]-1,3,4-oxadiazole

2-[4-(4-dodecyloxybenzoyl)-phenyl]-5-[4-(4-pentylbenzoyl)-phenyl]-1,3,4-oxadiazole

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran at 20℃; for 48h;79%
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

thiosemicarbazide
79-19-6

thiosemicarbazide

5-(4-pentylphenyl)-1,3,4-thiadiazol-2-amine
114751-76-7

5-(4-pentylphenyl)-1,3,4-thiadiazol-2-amine

Conditions
ConditionsYield
With trichlorophosphate at 0 - 70℃; for 4.5h;78%
With trichlorophosphate at 0℃; for 4.5h; Reflux;
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

3-fluoro-4'-hydroxy-1,1'-biphenyl-4-carbonitrile
123843-58-3

3-fluoro-4'-hydroxy-1,1'-biphenyl-4-carbonitrile

4-cyano-3-fluorobiphenyl-4'-yl 4-pentylbenzoate

4-cyano-3-fluorobiphenyl-4'-yl 4-pentylbenzoate

Conditions
ConditionsYield
With 4-pyrrolidin-1-ylpyridine; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;77%
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

(3αS,6R,8S,9βS)-8-hydroxy-6,9-dimethyl-3-methylene-2-oxo-2,3,3α,4,5,6,6α,7,8,9β-decahydroazuleno[4,5-b]furan-6-yl acetate

(3αS,6R,8S,9βS)-8-hydroxy-6,9-dimethyl-3-methylene-2-oxo-2,3,3α,4,5,6,6α,7,8,9β-decahydroazuleno[4,5-b]furan-6-yl acetate

(3αS,6R,8S,9βS)-6-acetoxy-6,9-dimethyl-3-methylene-2-oxo-2,3,3α,4,5,6,6α,7,8,9β-decahydroazuleno[4,5-β]furan-8-yl 4-pentylbenzoate

(3αS,6R,8S,9βS)-6-acetoxy-6,9-dimethyl-3-methylene-2-oxo-2,3,3α,4,5,6,6α,7,8,9β-decahydroazuleno[4,5-β]furan-8-yl 4-pentylbenzoate

Conditions
ConditionsYield
Stage #1: 4-pentylbenzoic acid; (3αS,6R,8S,9βS)-8-hydroxy-6,9-dimethyl-3-methylene-2-oxo-2,3,3α,4,5,6,6α,7,8,9β-decahydroazuleno[4,5-b]furan-6-yl acetate With dmap In dichloromethane at 20℃; for 0.166667h;
Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃;		77%
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

(4-(9-(4-hydroxyphenyl)nonyl)phenyl 4-cyanobenzoate)

(4-(9-(4-hydroxyphenyl)nonyl)phenyl 4-cyanobenzoate)

4-(9-(4-((4-cyanobenzoyl)oxy)phenyl)nonyl)phenyl 4-pentylbenzoate

4-(9-(4-((4-cyanobenzoyl)oxy)phenyl)nonyl)phenyl 4-pentylbenzoate

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 2h; Inert atmosphere;76%
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

4,5,6,7-tetrahydro-1H-imidazo<4,5-c>pyridine
6882-74-2

4,5,6,7-tetrahydro-1H-imidazo<4,5-c>pyridine

oxalic acid
144-62-7

oxalic acid

4-pentylphenyl-(1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone oxalate

4-pentylphenyl-(1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone oxalate

Conditions
ConditionsYield
Stage #1: 4-pentylbenzoic acid With 1,1'-carbonyldiimidazole In DMF (N,N-dimethyl-formamide) at 20℃; for 2h;
Stage #2: 4,5,6,7-tetrahydro-1H-imidazo<4,5-c>pyridine With triethylamine In DMF (N,N-dimethyl-formamide) at 20℃;
Stage #3: oxalic acid In ethyl acetate at 20℃;		73%
...Expand
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

(S)-4-(2-hydroxyethyl)-3-methylenedihydrofuran-2(3H)-one

(S)-4-(2-hydroxyethyl)-3-methylenedihydrofuran-2(3H)-one

C19H24O4

C19H24O4

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 2h;72.4%
2-methoxy-6-methyl-4(3H)-pyrimidinone
55996-28-6

2-methoxy-6-methyl-4(3H)-pyrimidinone

4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

4-Pentyl-benzoic acid 2-methoxy-6-methyl-pyrimidin-4-yl ester

4-Pentyl-benzoic acid 2-methoxy-6-methyl-pyrimidin-4-yl ester

Conditions
ConditionsYield
With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In tetrahydrofuran 1.) reflux, 2 h; 2.) RT, 18 h;71%
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl 4-hexyl-benzoate
1342883-62-8

4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl 4-hexyl-benzoate

4-{3-[4-(4-n-pentylbenzoyloxy)phenyl]-1,2,4-oxadiazol-5-yl}phenyl 4-hexylbenzoate
1342883-87-7

4-{3-[4-(4-n-pentylbenzoyloxy)phenyl]-1,2,4-oxadiazol-5-yl}phenyl 4-hexylbenzoate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 12h; Inert atmosphere;71%
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 10h;
3-bromo-1,1,1-trifluoroacetone
431-35-6

3-bromo-1,1,1-trifluoroacetone

4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

C15H15F3O2

C15H15F3O2

Conditions
ConditionsYield
With dipotassium hydrogenphosphate; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; silver(I) acetate In 2,2,2-trifluoroethanol at 140℃; for 24h;71%
2-(2,4-difluorophenyl)-1-[4-(2-fluoro-4-amino-phenyl)-piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)-propan-2-ol
950821-44-0

2-(2,4-difluorophenyl)-1-[4-(2-fluoro-4-amino-phenyl)-piperazin-1-yl]-3-(1H-1,2,4-triazol-1-yl)-propan-2-ol

4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

C2H2N3CH2COHC6H3F2CH2N(CH2)4NC6H3FNHCOC6H4(CH2)4CH3

C2H2N3CH2COHC6H3F2CH2N(CH2)4NC6H3FNHCOC6H4(CH2)4CH3

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃;68.5%
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

4'-(4-menthyloxy-4-oxobutanoyloxy)-4-hydroxybiphenyl

4'-(4-menthyloxy-4-oxobutanoyloxy)-4-hydroxybiphenyl

C38H46O6

C38H46O6

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In chloroform at 20℃; for 48h;63%
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

4-cyano-3,5-difluoro-4'-hydroxybiphenyl
123843-59-4

4-cyano-3,5-difluoro-4'-hydroxybiphenyl

4-cyano-3,5-difluorobiphenyl-4'-yl 4-pentylbenzoate

4-cyano-3,5-difluorobiphenyl-4'-yl 4-pentylbenzoate

Conditions
ConditionsYield
With 4-pyrrolidin-1-ylpyridine; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;61%
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

(Z)-N′-hydroxy-1H-benzo[d]imidazole-5-carboximidamide

(Z)-N′-hydroxy-1H-benzo[d]imidazole-5-carboximidamide

3-(1H-benzo[d]imidazol-6-yl)-5-(4-pentylphenyl)-1,2,4-oxadiazole

3-(1H-benzo[d]imidazol-6-yl)-5-(4-pentylphenyl)-1,2,4-oxadiazole

Conditions
ConditionsYield
With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 110℃;57.2%
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

N-deacetylcolchicine trifluoroacetate
1415695-51-0

N-deacetylcolchicine trifluoroacetate

4-(n-pentyl)-N-{(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}benzamide

4-(n-pentyl)-N-{(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}benzamide

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 3h; Inert atmosphere;53%
(1S,3R,4R,5R,6R,7R,8R,9S)-(9-hydroxymethylhexaspiro[2.0.0.0.0.0.2.1.1.1.1.1]pentadec-1-yl)methanol
837430-97-4

(1S,3R,4R,5R,6R,7R,8R,9S)-(9-hydroxymethylhexaspiro[2.0.0.0.0.0.2.1.1.1.1.1]pentadec-1-yl)methanol

4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

(1S,3R,4R,5R,6R,7R,8R,9S)-{9-[(4-n-pentylbenzoyl)oxymethyl]hexaspiro[2.0.0.0.0.0.2.1.1.1.1.1]pentadec-1-yl}methyl 4-n-pentylbenzoate

(1S,3R,4R,5R,6R,7R,8R,9S)-{9-[(4-n-pentylbenzoyl)oxymethyl]hexaspiro[2.0.0.0.0.0.2.1.1.1.1.1]pentadec-1-yl}methyl 4-n-pentylbenzoate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 12h;52%
4-pentylbenzoic acid
26311-45-5

4-pentylbenzoic acid

4-hydroxybenzoic acid 4-cyanophenyl ester
70568-47-7

4-hydroxybenzoic acid 4-cyanophenyl ester

4-cyanophenyl 4'-[4''-(pentyl)benzoyloxy]benzoate

4-cyanophenyl 4'-[4''-(pentyl)benzoyloxy]benzoate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 24h;50%

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

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 .

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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