Dimethyl Suberate - ≥98%(GC) , CAS No.1732-09-8

CAS: 1732-09-8 Cat. No.: D154245 Formule: C₁₀H₁₈O₄ Poids moléculaire: 202.25 Beilstein Registry Number: 2396 Numéro CE: 217-059-5

GRADE & PURITY ≥98%(GC)

Synonyms

DIMETHYL SUBERATE | SY049242 | DTXSID3061926 | Dimethyl octanedioate | AKOS015902807 | CHEBI:81345 | Dimethyl suberate, 99% | C17803 | A811495 | Dimethyl1,6-hexanedicarboxylate | J-010890 | SCHEMBL81128 | MFCD00008471 | O0183 | SUBERIC ACID DIMETHYL ESTER

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Dimethyl suberate was used in the preparation of [8-2H2] and [7-2H2]oleates.

Specifications

Synonymes

DIMETHYL SUBERATE | SY049242 | DTXSID3061926 | Dimethyl octanedioate | AKOS015902807 | CHEBI:81345 | Dimethyl suberate, 99% | C17803 | A811495 | Dimethyl1,6-hexanedicarboxylate | J-010890 | SCHEMBL81128 | MFCD00008471 | O0183 | SUBERIC ACID DIMETHYL ESTER

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(GC)

Noms et identifiants

• Sourires canoniques: COC(=O)CCCCCCC(=O)OC
• IUPAC Name: dimethyl octanedioate
• InChIKey: LNLCRJXCNQABMV-UHFFFAOYSA-N
• INCHI: 1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3
• Isomères SMILES: COC(=O)CCCCCCC(=O)OC
• WGK Allemagne: 3
• Poids moléculaire: 202.25
• Beilstein: 2396
• Reaxy-Rn: 1780054
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1780054&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 methyl esters
• Alternative Parents: Dicarboxylic acids and derivatives Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - 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 methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• External Descriptors: fatty acid methyl ester

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

• Sensibilité: light & Moisture sensitive
• Point d'éclair (°F): >235.4 °F
• Point d'éclair (°C): >113 °C
• Point d'ébullition (°C): 270 °C
• Poids moléculaire: 202.250 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 202.121 Da
• Monoisotopic Mass: 202.121 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 157.000
• 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