+1 858-523-8231
Login | Register
AA Blocks, Building Blocks, Catalysts, Inhibitors
Login | Register
Home Other Building Blocks 528-90-5
528-90-5,MFCD00075863
Catalog No.:AA003B1C

528-90-5 | 2,4,5-Trimethylbenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$9.00   $7.00
- +
10g
98%
in stock  
$73.00   $51.00
- +
25g
98%
in stock  
$179.00   $125.00
- +
100g
98%
in stock  
$710.00   $497.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003B1C
Chemical Name:
2,4,5-Trimethylbenzoic acid
CAS Number:
528-90-5
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00075863
SMILES:
Cc1cc(C(=O)O)c(cc1C)C
NSC Number:
147400
Properties
Properties
 
BP:
303.7°C at 760 mmHg  
Form:
Solid  
MP:
150-153 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
177  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.5  

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1997,vol.62,p.6810-6813

[2]OrganicLetters,2005,vol.7,p.4549-4552

[3]GazzettaChimicaItaliana,1986,vol.116,p.339-340

[4]GazzettaChimicaItaliana,1986,vol.116,p.339-340

[5]JustusLiebigsAnnalenderChemie,1887,vol.237,p.26    AmericanChemicalJournal,1889,vol.11,p.7

[6]JustusLiebigsAnnalenderChemie,1883,vol.216,p.204

[7]JournaloftheAmericanChemicalSociety,1926,vol.48,p.1826

[8]Patent:WO2006/72798,2006,A1.Locationinpatent:Page/Pagecolumn9-10

[9]Patent:WO2006/72798,2006,A1.Locationinpatent:Page/Pagecolumn11

[10]ZeitschriftfurChemie,1870,p.449

[1]JournaloftheChemicalSociety,1912,vol.101,p.2192

[2]HelveticaChimicaActa,1976,vol.59,p.1763-1796

[1]JournaloftheChemicalSociety,1912,vol.101,p.2192

[1]ChemischeBerichte,1886,vol.19,p.2510

[1]Tetrahedron,1971,vol.27,p.5943-5951

[2]BioorganicandMedicinalChemistry,2005,vol.13,p.3057-3068

[3]JournalofMedicinalChemistry,2006,vol.49,p.2232-2240

Literature

Title: The disposition and metabolism of durene (1,2,4,5-tetramethylbenzene) in rats.

Journal: Archives of toxicology 20010101

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Related Products of 528-90-5
100-21-0

100-21-0

 116934-87-3

116934-87-3

 1245919-29-2

1245919-29-2

 128-97-2

128-97-2

 14186-60-8

14186-60-8

 15120-47-5

15120-47-5
Building Blocks
More >
Tags:528-90-5 Molecular Formula|528-90-5 MDL|528-90-5 SMILES|528-90-5 2,4,5-Trimethylbenzoic acid