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

CAS: 1732-09-8 Cat. No.: D154245 分子式: C₁₀H₁₈O₄ 分子量: 202.25 Beilstein Registry Number: 2396 EC番号: 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

概要

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

Specifications

同義語

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

仕様と純度

≥98%(GC)

保管条件

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

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(GC)

名前と識別子

• カノニカル・スマイル: 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
• 異性体SMILES: COC(=O)CCCCCCC(=O)OC
• WGKドイツ: 3
• 分子量: 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
    • 分類 Fatty Acyls
      • Subclass Fatty acid esters

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

化学的性質と物理的性質

• 感度: light & Moisture sensitive
• 引火点（°F）: >235.4 °F
• 引火点（°C）: >113 °C
• 沸点（°C）: 270 °C
• 分子量: 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