Lot numbers can be found on the outside label of a product:
4,5-Dimethylphthalic acid
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CAS No. 5680-10-4
- Cat. No. CS-0377691
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 5680-10-4
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General Information
- CAS No. 5680-10-4
- Cat. No. CS-0377691
- Purity ≥98%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₀O₄
- Molecular Weight 194.18
- Synonym(s) 4.5-Dimethyl-phthalsaeure
- SMILES O=C(C1=CC(C)=C(C)C=C1C(O)=O)O
Description
4,5-Dimethylphthalic acid features a rigid aromatic core with two methyl groups positioned ortho to the carboxylic acid functionalities, enhancing steric shielding and reducing reactivity. This substitution pattern improves thermal stability and solubility in organic solvents compared to unsubstituted phthalic acid. The molecule serves as a valuable building block for synthesizing polyesters, pharmaceutical intermediates, and functionalized ligands in coordination chemistry, where controlled reactivity and defined spatial orientation are critical.
Application
4,5-Dimethylphthalic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted phthalate esters and heterocyclic systems. Its ortho-dicarboxylic acid functionality facilitates efficient cyclizations and metal coordination, while the methyl groups enhance steric and electronic tuning. The compound exhibits good bench stability and is readily purified by recrystallization, supporting its use in pharmaceutical intermediates and specialty polymers.
Synthesis
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Route1
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5438-24-4 - ~24%
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In-stock
5680-10-4
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In-stock
619-04-5
References
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Wang, Fei; Tong, Zhaohui RSC Advances, 2014 , vol. 4, # 12 p. 6314 - 6317
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Route2
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In-stock
17649-59-1 - ~%
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In-stock
5680-10-4
References
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Guillemonat Annales de Chimie (Cachan, France), 1939 , vol. <11> 11, p. 143,188, 191, 193, 194, 196 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1938 , vol. 206, p. 1126
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Route3
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141-53-7 - ~%
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In-stock
5680-10-4
References
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Coffey Recueil des Travaux Chimiques des Pays-Bas, 1923 , vol. 42, p. 433,1029
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H312-H332
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501
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Quality Control
Computational Chemistry Data
- TPSA 74.6
- LogP 1.69984
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 2
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Key Words
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