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Methyl 3-methoxy-2-methylbenzoate - 98%, high purity , CAS No.42981-93-1

COA

Grade & Purity:

≥98%

Cas Number: 42981-93-1
Molecular Weight: 180.2
PubChem CID: 12527049

In stock

Item Number

M170332

Grouped product items
SKU	Size	Availability	Price
M170332-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$16.90
M170332-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$55.90
M170332-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$251.90
M170332-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,131.90

Discover Methyl 3-methoxy-2-methylbenzoate by Aladdin Scientific in 98% for only $16.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	METHYL 3-METHOXY-2-METHYLBENZOATE \| 42981-93-1 \| MFCD11846427 \| Methyl3-methoxy-2-methylbenzoate \| SCHEMBL3796962 \| DTXSID70501392 \| VVQORCPXLODREB-UHFFFAOYSA-N \| AMY30239 \| AKOS015888698 \| NF-0031 \| SY258531 \| CS-0199628 \| FT-0753702 \| Benzoicacid,3-methoxy-2-methyl-,methyl ester
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 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	Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Toluenes Alkyl aryl ethers Methyl esters Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-methoxybenzoic acid or derivatives - Benzoate ester - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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

IUPAC Name	methyl 3-methoxy-2-methylbenzoate
INCHI	InChI=1S/C10H12O3/c1-7-8(10(11)13-3)5-4-6-9(7)12-2/h4-6H,1-3H3
InChIKey	VVQORCPXLODREB-UHFFFAOYSA-N
Smiles	CC1=C(C=CC=C1OC)C(=O)OC
Isomeric SMILES	CC1=C(C=CC=C1OC)C(=O)OC
Molecular Weight	180.2
Reaxy-Rn	2575227
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2575227&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	180.200 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	180.079 Da
Monoisotopic Mass	180.079 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179.000
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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