Skip to the beginning of the images gallery

Dimethyl Isopropylmalonate - ≥97%, high purity , CAS No.51122-91-9

COA

Grade & Purity:

≥97%

Cas Number: 51122-91-9
Molecular Weight: 174.19
MDL number: MFCD00236605
PubChem CID: 583329

In stock

Item Number

D303840

Grouped product items
SKU	Size	Availability	Price	Qty
D303840-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90

Basic Description

Synonyms	Dimethyl isopropylmalonate \| 51122-91-9 \| DimethylIsopropylmalonate \| Dimethyl 2-propan-2-ylpropanedioate \| 2-Isopropylmalonic acid dimethyl ester \| Propanedioic acid, (1-methylethyl)-, dimethyl ester \| MFCD00236605 \| isopropyl-malonic acid dimethyl ester \| SCHEMBL188811
Specifications & Purity	≥97%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid esters
Alternative Parents	Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Methyl esters Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
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	dimethyl 2-propan-2-ylpropanedioate
INCHI	InChI=1S/C8H14O4/c1-5(2)6(7(9)11-3)8(10)12-4/h5-6H,1-4H3
InChIKey	HVNFMZHHKRLLNH-UHFFFAOYSA-N
Smiles	CC(C)C(C(=O)OC)C(=O)OC
Isomeric SMILES	CC(C)C(C(=O)OC)C(=O)OC
Molecular Weight	174.19
Reaxy-Rn	1770674
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1770674&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	174.190 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	174.089 Da
Monoisotopic Mass	174.089 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	158.000
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