ChemicalBook--->CAS DataBase List--->528-90-5

528-90-5

528-90-5 Structure

528-90-5 Structure
IdentificationMore
[Name]

2,4,5-Trimethylbenzoic acid
[CAS]

528-90-5
[Synonyms]

2,4,5-TRIMETHYLBENZOIC ACID
RARECHEM AL BO 1469
2,4,5-trimethyl-benzoicaci
Benzoicacid,2,4,5-trimethyl-
Durylic acid
durylicacid
2,4,5-Trimethyl
Cumylic acid
[EINECS(EC#)]

200-002-4
[Molecular Formula]

C10H12O2
[MDL Number]

MFCD00075863
[Molecular Weight]

164.2
[MOL File]

528-90-5.mol
Chemical PropertiesBack Directory
[Melting point ]

150-153 °C (lit.)
[Boiling point ]

288.61°C (estimate)
[density ]

1.0670 (estimate)
[refractive index ]

1.5198 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

4.24±0.25(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)
[InChIKey]

QENJZWZWAWWESF-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(C)=C(C)C=C1C
[CAS DataBase Reference]

528-90-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 2,4,5-trimethyl-(528-90-5)
[EPA Substance Registry System]

528-90-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Safety Statements ]

24/25
[WGK Germany ]

3
[RTECS ]

DI0887000
[HazardClass ]

IRRITANT
[HS Code ]

29163990
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

Crystal structure of 2,4,5-trimethylbenzoic acid (2,4,5-TMBA) has been determined by X-ray studies. Two molecules of 2,4,5-TMBA on association affords centrosymmetric carboxyl dimers. 2,4,5-TMBA can be synthesized from pseudocumene. Vibrational analysis of monomeric and dimeric foms of 2,4,5-TMBA have been reported.
[General Description]

Crystal structure of 2,4,5-trimethylbenzoic acid (2,4,5-TMBA) has been determined by X-ray studies. Two molecules of 2,4,5-TMBA on association affords centrosymmetric carboxyl dimers. 2,4,5-TMBA can be synthesized from pseudocumene. Vibrational analysis of monomeric and dimeric foms of 2,4,5-TMBA have been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

2,4,5-Trimethylbenzoic acid(528-90-5)MS
2,4,5-Trimethylbenzoic acid(528-90-5)1HNMR
2,4,5-Trimethylbenzoic acid(528-90-5)IR1
2,4,5-Trimethylbenzoic acid(528-90-5)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

528-90-5(sigmaaldrich)
[TCI AMERICA]

2,4,5-Trimethylbenzoic Acid,>97.0%(GC)(T)(528-90-5)
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