4-Pentylbenzoic acid

Base Information Edit

Chemical Name:4-Pentylbenzoic acid
CAS No.:26311-45-5
Molecular Formula:C12H16O2
Molecular Weight:192.258
Hs Code.:29163990
European Community (EC) Number:247-607-9
NSC Number:169024
UNII:ET3KL92DDG
DSSTox Substance ID:DTXSID6067200
Nikkaji Number:J42.032H
Wikidata:Q72500119
Mol file:26311-45-5.mol

Synonyms:4-Pentylbenzoic acid;26311-45-5;Benzoic acid, 4-pentyl-;4-n-Pentylbenzoic acid;4-Amylbenzoic acid;p-Pentylbenzoic acid;p-Amylbenzoic acid;Para-Pentylbenzoic acid;BENZOIC ACID, p-PENTYL-;NSC 169024;p-n-pentylbenzoic acid;EINECS 247-607-9;ET3KL92DDG;BRN 2044798;MFCD00002572;NSC-169024;3-09-00-02551 (Beilstein Handbook Reference);p-Pentyl benzoic acid;4-(n-pentyl)benzoic acid;Ertapenemdisodium;p-n-Amylbenzoic acid;4-pentyl benzoic acid;4-pentyl-benzoic acid;UNII-ET3KL92DDG;4-Pentylbenzoic acid, 99%;SCHEMBL290118;DTXSID6067200;NSC169024;AKOS002685614;CS-W010704;PS-8327;AC-18364;LS-38112;SY036128;A0741;FT-0638595;FT-0654606;H10741;W-107181

Suppliers and Price of 4-Pentylbenzoic acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-Pentylbenzoic acid
250mg
$ 45.00

TCI Chemical
4-Amylbenzoic Acid >98.0%(T)
250g
$ 320.00

TCI Chemical
4-Amylbenzoic Acid >98.0%(T)
5g
$ 27.00

TCI Chemical
4-Amylbenzoic Acid >98.0%(T)
25g
$ 32.00

SynQuest Laboratories
4-Pentylbenzoic acid
5 g
$ 16.00

SynQuest Laboratories
4-Pentylbenzoic acid
25 g
$ 64.00

Sigma-Aldrich
4-Pentylbenzoic acid 99%
5g
$ 88.50

Oakwood
4-Pentylbenzoic acid 97%
1g
$ 10.00

Matrix Scientific
4-Pentylbenzoic acid 97%
50g
$ 355.00

Matrix Scientific
4-Pentylbenzoic acid 97%
1g
$ 29.00

Total 103 raw suppliers

Chemical Property of 4-Pentylbenzoic acid Edit

Chemical Property:

Appearance/Colour:white to light yellow crystalline powder
Vapor Pressure:0.000198mmHg at 25°C
Melting Point:85-90 °C
Refractive Index:1.5207 (estimate)
Boiling Point:315.3 °C at 760 mmHg
PKA:4.35±0.10(Predicted)
Flash Point:149.7 °C
PSA：37.30000
Density:1.043 g/cm³
LogP:3.11750
Storage Temp.:Sealed in dry,Room Temperature
Water Solubility.:insoluble
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:192.115029749
Heavy Atom Count:14
Complexity:169

Purity/Quality:

99% ^*data from raw suppliers

4-Pentylbenzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Benzoic Acid Derivatives
Canonical SMILES:CCCCCC1=CC=C(C=C1)C(=O)O
Uses Intermediates of Liquid Crystals

Technology Process of 4-Pentylbenzoic acid

There total 9 articles about 4-Pentylbenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.0%

: 586-76-5
4-Bromobenzoic acid

: 693-25-4
n-pentylmagnesium bromide

: 26311-45-5
4-pentylbenzoic acid

Guidance literature:: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; -78 deg C, 10 min, 20 deg C, 3.5 h;
DOI:10.1016/S0022-328X(96)06794-0

Reference yield: 85.0%

: 592-76-7
1-Heptene

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

: 26311-45-5
4-pentylbenzoic acid

Guidance literature:: With palladium 10% on activated carbon; In 1,3,5-trimethyl-benzene; at 200 ℃; regioselective reaction;
DOI:10.1039/c1gc15650k