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2-Oxo-2-(p-tolyl)ethyl acetate - ≥97%, high purity , CAS No.65143-37-5

COA

Grade & Purity:

≥97%

Cas Number: 65143-37-5
Molecular Weight: 192.22
PubChem CID: 5151332

In stock

Item Number

O709480

Grouped product items
SKU	Size	Availability	Price	Qty
O709480-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$442.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Benzoyl derivatives Aryl alkyl ketones Toluenes Alpha-acyloxy ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Alpha-acyloxy ketone - Toluene - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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	[2-(4-methylphenyl)-2-oxoethyl] acetate
INCHI	InChI=1S/C11H12O3/c1-8-3-5-10(6-4-8)11(13)7-14-9(2)12/h3-6H,7H2,1-2H3
InChIKey	GMGKFZCRKFZPMC-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)C(=O)COC(=O)C
Isomeric SMILES	CC1=CC=C(C=C1)C(=O)COC(=O)C
PubChem CID	5151332
Molecular Weight	192.22

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	86-88°
Molecular Weight	192.210 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	192.079 Da
Monoisotopic Mass	192.079 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	215.000
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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