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2,5-Dimethylbenzoic Acid - 98%, high purity , CAS No.610-72-0

COA

Grade & Purity:

≥98%

Cas Number: 610-72-0
Molecular Weight: 150.17
Beilstein Registry Number: 971588
EC Number: 210-235-2
MDL number: MFCD00002482
PubChem CID: 11892
PubChem SID: 488181465

In stock

Item Number

D102065

Grouped product items
SKU	Size	Availability	Price
D102065-5g	5g	1	$18.90
D102065-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$28.90
D102065-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$52.90
D102065-100g	100g	2	$169.90
D102065-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$761.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	p-Xylene-2-carboxylic Acid
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	2,5-Dimethylbenzoic acid is a metabolite of pseudocumene (1,2,4-trimethylbenzene).2,5-Dimethylbenzoic acid was used in the synthesis of new derivatives of paracyclophane. It was used as starting reagent in the synthesis of methyl 2,5-dimethylbenzoate.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	p-Xylenes Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid - P-xylene - Xylene - Benzoyl - Monocarboxylic 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 benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors	dimethylbenzoic acid
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	488181465
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181465
IUPAC Name	2,5-dimethylbenzoic acid
INCHI	InChI=1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey	XZRHNAFEYMSXRG-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)C)C(=O)O
Isomeric SMILES	CC1=CC(=C(C=C1)C)C(=O)O
WGK Germany	3
Molecular Weight	150.17
Beilstein	971588
Reaxy-Rn	971588
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971588&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
E2127148	Certificate of Analysis	Mar 04, 2025	D102065
E2127151	Certificate of Analysis	Mar 04, 2025	D102065
G2422042	Certificate of Analysis	Jul 03, 2024	D102065
G2422039	Certificate of Analysis	Jul 03, 2024	D102065
G2422040	Certificate of Analysis	Jul 03, 2024	D102065
G2422041	Certificate of Analysis	Jul 03, 2024	D102065
D2407170	Certificate of Analysis	Mar 14, 2024	D102065
L1906034	Certificate of Analysis	Sep 07, 2023	D102065

Chemical and Physical Properties

Solubility	Solubility - Very faint turbidity with Methanol.
Boil Point(°C)	268°C
Melt Point(°C)	132-134°C
Molecular Weight	150.170 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	150.068 Da
Monoisotopic Mass	150.068 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154.000
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

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