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21643-38-9,MFCD00013997
Catalog No.:AA003LEA

21643-38-9 | 4-Hexylbenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$37.00   $26.00
- +
5g
≥ 99% (GC)
in stock  
$96.00   $67.00
- +
25g
≥ 99% (GC)
in stock  
$249.00   $174.00
- +
100g
≥ 99% (GC)
in stock  
$718.00   $503.00
- +
250g
≥ 99% (GC)
in stock  
$1,630.00   $1,141.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003LEA
Chemical Name:
4-Hexylbenzoic acid
CAS Number:
21643-38-9
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD00013997
SMILES:
CCCCCCc1ccc(cc1)C(=O)O
NSC Number:
172887
Properties
Properties
 
BP:
321.2°C at 760 mmHg  
Form:
Liquid  
MP:
95-97 °C  
Refractive Index:
1.5211 (estimate)  
Solubility:
methanol: 0.1 g/mL, clear  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
181  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
5.1  

Literature

Title: Identification and characterization of 4-hexylbenzoic acid and 4-nonyloxybenzoic acid as substrates of CYP102A1.

Journal: Applied microbiology and biotechnology 20110401

Title: 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors.

Journal: Bioorganic & medicinal chemistry 20070301

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SDS
Tags:21643-38-9 Molecular Formula|21643-38-9 MDL|21643-38-9 SMILES|21643-38-9 4-Hexylbenzoic acid