Basic Description

Synonyms	14458-05-0 \| 2,3,5,6-tetramethylterephthalic acid \| TETRAMETHYLTEREPHTHALIC ACID \| 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetramethyl- \| 2,3,5,6-Tetramethylterephthalicacid \| NSC93949 \| 1,4-Benzenedicarboxylicacid, 2,3,5,6-tetramethyl- \| tetramethylbenzene-1,4-dicarboxy
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Phthalic acid and derivatives
        Level6 P-phthalic acid and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives
Direct Parent	P-phthalic acid and derivatives
Alternative Parents	Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Para_phthalic_acid - Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488189121
IUPAC Name	2,3,5,6-tetramethylterephthalic acid
INCHI	InChI=1S/C12H14O4/c1-5-6(2)10(12(15)16)8(4)7(3)9(5)11(13)14/h1-4H3,(H,13,14)(H,15,16)
InChIKey	NEOZDUDLYDUOTE-UHFFFAOYSA-N
Smiles	CC1=C(C(=C(C(=C1C(=O)O)C)C)C(=O)O)C
Isomeric SMILES	CC1=C(C(=C(C(=C1C(=O)O)C)C)C(=O)O)C
Molecular Weight	222.24
Reaxy-Rn	3308636
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3308636&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
A2309034	Certificate of Analysis	Sep 12, 2022	B299907
A2309047	Certificate of Analysis	Sep 12, 2022	B299907
A2309048	Certificate of Analysis	Sep 12, 2022	B299907
A2307416	Certificate of Analysis	Sep 12, 2022	B299907
A2307417	Certificate of Analysis	Sep 12, 2022	B299907
A2309049	Certificate of Analysis	Sep 12, 2022	B299907

Chemical and Physical Properties

Molecular Weight	222.240 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	222.089 Da
Monoisotopic Mass	222.089 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	253.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Tiantian He, Wenjing Yang, Youwen Yang, Shuping Peng, Cijun Shuai. (2025) Gold nanoparticles-supported iron oxide particles endows bone scaffolds with anti-tumor function. FREE RADICAL RESEARCH,
2. Xinyu Chen, Jinhai Leng, Fengying Ma, Jianqing Wu, Yi Jin, Miao Yu, Haomin Huang, Shanshan Shang, Daiqi Ye. (2025) Highly controllable CO2 capture performance under varied humidity conditions by finely tuned metal and organic ligand compositions of DMOF adsorbents. MICROPOROUS AND MESOPOROUS MATERIALS, 389 (113559).
3. Tong Li, Lu Zhang, Yong Wang, Xiaoxia Jia, Hui Chen, Yongjian Li, Qi Shi, Lin-Bing Sun, Jinping Li, Banglin Chen, Libo Li. (2024) Optimizing supramolecular interactions within metal–organic frameworks for ultra-high purity propylene purification. AICHE JOURNAL, (e18646).

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SKU	Size	Availability	Price
B299907-50mg	50mg	2	$69.90
B299907-250mg	250mg	2	$241.90
B299907-1g	1g	2	$687.90

2,3,5,6-4 Tetramethyl terephthalic acid - 95%, high purity , CAS No.14458-05-0