Basic Description

Synonyms	2-Methylterephthalic acid \| 5156-01-4 \| 2-METHYL-1,4-BENZENEDICARBOXYLIC ACID \| Methylterephthalic acid \| 1,4-Benzenedicarboxylic acid, 2-methyl- \| Terephthalic acid, methyl- \| NSC20693 \| MFCD09835103 \| Methylterephthalsaure \| 2-Methyl-1,4-benzenedicarboxylicacid \| 2-methylb
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

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 Toluenes Dicarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Para_phthalic_acid - Benzoic acid - Benzoyl - Toluene - 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	488188786
IUPAC Name	2-methylterephthalic acid
INCHI	InChI=1S/C9H8O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey	UFMBOFGKHIXOTA-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)C(=O)O)C(=O)O
Isomeric SMILES	CC1=C(C=CC(=C1)C(=O)O)C(=O)O
Molecular Weight	180.16
Reaxy-Rn	1953686
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1953686&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

17 results found

Lot Number	Certificate Type	Date	Item
D2525064	Certificate of Analysis	Apr 30, 2025	M303855
F2218055	Certificate of Analysis	Apr 08, 2025	M303855
E2210093	Certificate of Analysis	Mar 10, 2025	M303855
G2117345	Certificate of Analysis	May 16, 2024	M303855
D2518087	Certificate of Analysis	Dec 09, 2022	M303855
D2521654	Certificate of Analysis	Dec 09, 2022	M303855
B2303465	Certificate of Analysis	Dec 09, 2022	M303855
B2303486	Certificate of Analysis	Dec 09, 2022	M303855
B2303467	Certificate of Analysis	Dec 09, 2022	M303855
B2303489	Certificate of Analysis	Dec 09, 2022	M303855
B2303490	Certificate of Analysis	Dec 09, 2022	M303855
B2303488	Certificate of Analysis	Dec 09, 2022	M303855
B2303491	Certificate of Analysis	Dec 09, 2022	M303855
B2303492	Certificate of Analysis	Dec 09, 2022	M303855
E2210050	Certificate of Analysis	Feb 19, 2022	M303855
D2425056	Certificate of Analysis	Feb 19, 2022	M303855
E2210092	Certificate of Analysis	Feb 19, 2022	M303855

Show more⌵

Chemical and Physical Properties

Refractive Index	1.611
Flash Point(°C)	202.8ºC
Boil Point(°C)	388.2ºC
Molecular Weight	180.160 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	180.042 Da
Monoisotopic Mass	180.042 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	224.000
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. Xinzhao Jiang, Wei Wang, Jincheng Tang, Meng Han, Yichang Xu, Lichen Zhang, Jie Wu, Yiyang Huang, Zhouye Ding, Huiwen Sun, Kun Xi, Yong Gu, Liang Chen. (2023) Ligand-Screened Cerium-Based MOF Microcapsules Promote Nerve Regeneration via Mitochondrial Energy Supply. Advanced Science, (2306780).
2. Qiufan Sun, Yuxiang Zhu, Xiang Zhong, Meng Jiang, Yanchen Fan, Jianfeng Yao. (2022) Tuning Photoactive MIL-68(In) by Functionalized Ligands for Boosting Visible-Light Nitrogen Fixation. ACS Applied Materials & Interfaces, 14 (48): (53904–53915).

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

=

Concentration

x

Volume

x

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

x

Volume 1 (V1)

=

Concentration 2 (C2)

x

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

=

Mass (in vial)

÷

Desired Reconstitution Concentration

SKU	Size	Availability	Price
M303855-250mg	250mg	2	$103.90
M303855-1g	1g	3	$275.90
M303855-5g	5g	1	$922.90
M303855-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,228.90

2-Methyl-1,4-benzenedicarboxylic acid - 98%, high purity , CAS No.5156-01-4