Dimethyl adipate(DMA) - Standard for GC, ≥99.5%(GC) , CAS No.627-93-0

CAS: 627-93-0 Cat. No.: D103059 Summenformel: C₈H₁₄O₄ Molekulargewicht: 174.19 Beilstein Registry Number: 1707443 EG-Nummer: 211-020-6

QUALITÄT & REINHEIT Standard for GC, ≥99.5%(GC)

Synonyms

Dimethyl adipate|627-93-0|Dimethyl hexanedioate|HEXANEDIOIC ACID, DIMETHYL ESTER|Dimethyladipate|Adipic acid dimethyl ester|Adipic acid, dimethyl ester|1,6-Dimethylhexanedioate|DBE 6|1,6-dimethyl hexanedioate|hexanedioic acid dimethyl ester|MFCD00008469|a

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

Dimethyl adipate | 627-93-0 | Dimethyl hexanedioate | HEXANEDIOIC ACID, DIMETHYL ESTER | Dimethyladipate | Adipic acid dimethyl ester | Adipic acid, dimethyl ester | 1,6-Dimethylhexanedioate | DBE 6 | 1,6-dimethyl hexanedioate | hexanedioic acid dimethyl ester | MFCD00008469 | a

Spezifikationen & Reinheit

Standard for GC, ≥99.5%(GC)

Storage

Room temperature

Verschickt in

Normal

Note

Standard for GC

Reinheit

≥99.5%(GC)

Namen und Kennungen

Pubchem Sid

528771591

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771591

Kanonisches Lächeln

COC(=O)CCCCC(=O)OC

IUPAC Name

dimethyl hexanedioate

InChIKey

UDSFAEKRVUSQDD-UHFFFAOYSA-N

INCHI

1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3

Isomere SMILES

COC(=O)CCCCC(=O)OC

WGK Deutschland

1

RTECS

AV1645000

Molekulargewicht

174.19

Beilstein

1707443

Reaxy-Rn

1707443

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707443&ln=

Taxonomic Classification

Taxonomy Tree

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

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.4285
• Flammpunkt (°F): 107℃
• Flammpunkt (°C): 107℃
• Siedepunkt (°C): 215-225 °C
• Schmelzpunkt (°C): 8°C
• Molekulargewicht: 174.190 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 174.089 Da
• Monoisotopic Mass: 174.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 135.000
• 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