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3，5-Dimethoxy-4-methylbenzoic acid - 97%, high purity , CAS No.61040-81-1

COA

Grade & Purity:

≥97%

Cas Number: 61040-81-1
Molecular Weight: 196.2
Beilstein Registry Number: 2695238
MDL number: MFCD00017506
PubChem CID: 3764486
PubChem SID: 488194553

In stock

Item Number

D136423

Grouped product items
SKU	Size	Availability	Price
D136423-1g	1g	3	$44.90
D136423-5g	5g	2	$167.90
D136423-25g	25g	1	$667.90

Basic Description

Synonyms	3,5-dimethoxy-4-methylbenzoic acid \| 61040-81-1 \| MFCD00017506 \| 3,5-dimethoxy-4-methyl-benzoic Acid \| Benzoic acid,3,5-dimethoxy-4-methyl- \| SCHEMBL668540 \| DTXSID30396100 \| 3,5-dimethoxy4-methylbenzoic acid \| 4-methyl-3,5-dimethoxybenzoic acid \| 3,5-dimethoxy-4-methyl be
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	Product Application: 3,5-Dimethoxy-4-methylbenzoic acid undergoes reduction in the presence of sodium in ethanol to prepare 1,4-dihydro-3,5-dimethoxy- kmethylbenzoic acid.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Methoxybenzoic acids and derivatives
        Level6 M-methoxybenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Methoxybenzoic acids and derivatives
Direct Parent	M-methoxybenzoic acids and derivatives
Alternative Parents	Dimethoxybenzenes Benzoic acids Phenoxy compounds Benzoyl derivatives Anisoles Toluenes Alkyl aryl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-methoxybenzoic acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.
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	488194553
IUPAC Name	3,5-dimethoxy-4-methylbenzoic acid
INCHI	InChI=1S/C10H12O4/c1-6-8(13-2)4-7(10(11)12)5-9(6)14-3/h4-5H,1-3H3,(H,11,12)
InChIKey	QIBMVRYNEXOCCF-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1OC)C(=O)O)OC
Isomeric SMILES	CC1=C(C=C(C=C1OC)C(=O)O)OC
Molecular Weight	196.2
Beilstein	2695238
Reaxy-Rn	2695238
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2695238&ln=

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

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
H2309468	Certificate of Analysis	May 12, 2025	D136423
H2309469	Certificate of Analysis	May 12, 2025	D136423
H2309470	Certificate of Analysis	May 12, 2025	D136423
H2309465	Certificate of Analysis	May 12, 2025	D136423
H2309467	Certificate of Analysis	May 12, 2025	D136423
H2309466	Certificate of Analysis	May 12, 2025	D136423

Chemical and Physical Properties

Solubility	Soluble in liquid ammonia.
Melt Point(°C)	210-216°C
Molecular Weight	196.200 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	196.074 Da
Monoisotopic Mass	196.074 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	190.000
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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