dimethylisobutylmalonate - ≥97% , CAS No.39520-24-6

CAS: 39520-24-6 Cat. No.: D134955 Formule: (CH₃)₂CHCH₂CH(CO₂CH₃)₂ Poids moléculaire: 188.22 Numéro CE: 254-490-8

QUALITÉ & PURETÉ ≥97%

Synonyms

Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonylfluoride | A6613 | EINECS 254-490-8 | GAZFDPSEEIVCEX-UHFFFAOYSA-N | Dimethyl isobutylmalonate, 97% | Malonic acid, isobutyl-, dimethyl ester | Dimethylisobutylmalonate | SCHEMBL1059738 | MFCD00015640 | dimethy

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonylfluoride | A6613 | EINECS 254-490-8 | GAZFDPSEEIVCEX-UHFFFAOYSA-N | Dimethyl isobutylmalonate, 97% | Malonic acid, isobutyl-, dimethyl ester | Dimethylisobutylmalonate | SCHEMBL1059738 | MFCD00015640 | dimethy

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488188442

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188442

Sourires canoniques

CC(C)CC(C(=O)OC)C(=O)OC

IUPAC Name

dimethyl 2-(2-methylpropyl)propanedioate

InChIKey

GAZFDPSEEIVCEX-UHFFFAOYSA-N

INCHI

1S/C9H16O4/c1-6(2)5-7(8(10)12-3)9(11)13-4/h6-7H,5H2,1-4H3

Isomères SMILES

CC(C)CC(C(=O)OC)C(=O)OC

WGK Allemagne

3

Poids moléculaire

188.22

Reaxy-Rn

1775376

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1775376&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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

Data sources

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

Propriétés chimiques et physiques

• Indice de réfraction: 1.424
• Point d'éclair (°F): 206.6 °F
• Point d'éclair (°C): 97 °C
• Point d'ébullition (°C): 213 °C
• Poids moléculaire: 188.220 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 188.105 Da
• Monoisotopic Mass: 188.105 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 170.000
• 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

Foire aux questions

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 39520-24-6, the molecular formula is C9H16O4, and the molecular weight is 188.22 g/mol. InChIKey GAZFDPSEEIVCEX-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.