dimethyl dodecanedioate - ≥98%(GC) , CAS No.1731-79-9

CAS: 1731-79-9 Cat. No.: D133037 Formula: C₁₄H₂₆O₄ Peso molecolare: 258.36 Beilstein Registry Number: 2(3)1849 Numero EC: 217-050-6

GRADE & PURITY ≥98%(GC)

Synonyms

Q63408981 | dimethyl1,10-decanedicarboxylate | Dimethyl 1,10-decanedicarboxylate | D2835 | J-010882 | 1,10-Decanedicarboxylic acid dimethyl ester Dodecanedioic acid dimethyl ester | dimethyl decamethylenedicarboxylate | AS-38795 | Dimethyl 1,12-dodecanedi

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Q63408981 | dimethyl1,10-decanedicarboxylate | Dimethyl 1,10-decanedicarboxylate | D2835 | J-010882 | 1,10-Decanedicarboxylic acid dimethyl ester Dodecanedioic acid dimethyl ester | dimethyl decamethylenedicarboxylate | AS-38795 | Dimethyl 1,12-dodecanedi

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488184922
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184922
• Sorrisi canonici: COC(=O)CCCCCCCCCCC(=O)OC
• IUPAC Name: dimethyl dodecanedioate
• InChIKey: IZMOTZDBVPMOFE-UHFFFAOYSA-N
• INCHI: 1S/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3
• Isomeri SMILES: COC(=O)CCCCCCCCCCC(=O)OC
• Peso molecolare: 258.36
• Beilstein: 2(3)1849
• Reaxy-Rn: 1790424
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1790424&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
• Descrizione: 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: 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

Proprietà chimiche e fisiche

• Peso molecolare: 258.350 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 258.183 Da
• Monoisotopic Mass: 258.183 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 202.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

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

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

The CAS Number is 1731-79-9, the molecular formula is C14H26O4, and the molecular weight is 258.36 g/mol. InChIKey IZMOTZDBVPMOFE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.