Skip to the beginning of the images gallery

Methyl 2,2-dimethyl-3-oxopropanoate - 95%, high purity , CAS No.13865-20-8

COA

Grade & Purity:

≥95%

Cas Number: 13865-20-8
Molecular Weight: 130.14
EC Number: ‘866-608-0
PubChem CID: 11137194
PubChem SID: 504766058

In stock

Item Number

M587124

Grouped product items
SKU	Size	Availability	Price
M587124-100mg	100mg	2	$31.90
M587124-250mg	250mg	3	$44.90
M587124-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$160.90
M587124-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$567.90

Basic Description

Synonyms	DS-5566 \| Methyl2,2-dimethyl-3-oxopropanoate \| Propanoic acid, 2,2-dimethyl-3-oxo-, methyl ester \| Methyl 2,2-dimethyl-3-oxopropanoate \| Methyl 2,2-dimethyl-3-oxo-propanoate \| 2,2-dimethyl-3-oxo-propionic acid methyl ester \| methyl-alpha-formylisobutyrate
Specifications & Purity	≥95%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid esters
        Level6 Methyl esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Carboxylic acid esters
Direct Parent	Methyl esters
Alternative Parents	Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic acyclic compounds
Substituents	Methyl ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl 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	504766058
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766058
IUPAC Name	methyl 2,2-dimethyl-3-oxopropanoate
INCHI	InChI=1S/C6H10O3/c1-6(2,4-7)5(8)9-3/h4H,1-3H3
InChIKey	XFKYUMYFILZJGG-UHFFFAOYSA-N
Smiles	CC(C)(C=O)C(=O)OC
Isomeric SMILES	CC(C)(C=O)C(=O)OC
Molecular Weight	130.14
Reaxy-Rn	1925539
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1925539&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
K2302126	Certificate of Analysis	Oct 19, 2023	M587124
K2302127	Certificate of Analysis	Oct 19, 2023	M587124
K2302114	Certificate of Analysis	Oct 19, 2023	M587124
K2302131	Certificate of Analysis	Oct 19, 2023	M587124
K2302128	Certificate of Analysis	Oct 19, 2023	M587124

Chemical and Physical Properties

Molecular Weight	130.139 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	130.063 Da
Monoisotopic Mass	130.063 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	126.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration