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Methyl 3-methylphenylacetate - 98%, high purity , CAS No.53088-69-0

COA

Grade & Purity:

≥98%

Cas Number: 53088-69-0
Molecular Weight: 164.2
PubChem CID: 5135288
PubChem SID: 488195105

In stock

Item Number

M573276

Grouped product items
SKU	Size	Availability	Price
M573276-1g	1g	4	$94.90
M573276-5g	5g	5	$334.90
M573276-25g	25g	2	$1,167.90

Basic Description

Synonyms	Methyl 2-(m-tolyl)acetate \| 53088-69-0 \| methyl 3-methylphenylacetate \| methyl 2-(3-methylphenyl)acetate \| m-tolylacetic acid methyl ester \| methyl 2-m-tolylacetate \| MFCD00968468 \| Benzeneacetic acid, 3-methyl-, methyl ester \| 3-Methylphenylacetic acid methyl ester \| SCHE
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Toluenes
Alternative Parents	Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane 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	488195105
IUPAC Name	methyl 2-(3-methylphenyl)acetate
INCHI	InChI=1S/C10H12O2/c1-8-4-3-5-9(6-8)7-10(11)12-2/h3-6H,7H2,1-2H3
InChIKey	AWTKFTNNPQGGLX-UHFFFAOYSA-N
Smiles	CC1=CC(=CC=C1)CC(=O)OC
Isomeric SMILES	CC1=CC(=CC=C1)CC(=O)OC
Molecular Weight	164.2
Reaxy-Rn	2083895
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2083895&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
D23061840	Certificate of Analysis	Feb 13, 2023	M573276
D23061835	Certificate of Analysis	Feb 13, 2023	M573276
D23061836	Certificate of Analysis	Feb 13, 2023	M573276
D23061841	Certificate of Analysis	Feb 13, 2023	M573276
D23061848	Certificate of Analysis	Feb 13, 2023	M573276
D23061838	Certificate of Analysis	Feb 13, 2023	M573276

Chemical and Physical Properties

Boil Point(°C)	117℃
Molecular Weight	164.200 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	164.084 Da
Monoisotopic Mass	164.084 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
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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