Bis(2-ethylhexyl) sebacate(DOS) - CP, ≥95% , CAS No.122-62-3

CAS: 122-62-3 Cat. No.: B105170 Summenformel: C₂₆H₅₀O₄ Molekulargewicht: 426.67 Beilstein Registry Number: 1806504 EG-Nummer: 204-558-8

QUALITÄT & REINHEIT CP, ≥95%

Synonyms

Dioctyl sebacate 99% | DUB DOS | AKOS015903925 | bis(2_ethylhexyl)sebacate | DTXSID7025055 | SEBACIC ACID BIS (2_ETHYLHEXYL) ESTER | Sebacic acid, bis(2-ethylhexyl)ester | DTXCID005055 | HATCOL 5110 | AI3-09124 | Bis(2-ethylhexyl) sebacate, technical grad

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

Dioctyl sebacate 99% | DUB DOS | AKOS015903925 | bis(2_ethylhexyl)sebacate | DTXSID7025055 | SEBACIC ACID BIS (2_ETHYLHEXYL) ESTER | Sebacic acid, bis(2-ethylhexyl)ester | DTXCID005055 | HATCOL 5110 | AI3-09124 | Bis(2-ethylhexyl) sebacate, technical grad

Spezifikationen & Reinheit

CP, ≥95%

Storage

Room temperature

Verschickt in

Normal

Note

CP

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504753431

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753431

Kanonisches Lächeln

CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC

IUPAC Name

bis(2-ethylhexyl) decanedioate

InChIKey

VJHINFRRDQUWOJ-UHFFFAOYSA-N

INCHI

1S/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3

Isomere SMILES

CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC

RTECS

VS1000000

Molekulargewicht

426.67

Beilstein

1806504

Reaxy-Rn

1806504

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1806504&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 esters
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - 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 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.4369
• Flammpunkt (°F): 419 °F
• Flammpunkt (°C): 215 °C
• Siedepunkt (°C): 212 °C / 413.6 °F @ 1 mmHg
• Schmelzpunkt (°C): -55 °C / -67 °F
• Molekulargewicht: 426.700 g/mol
• XLogP3: 9.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 23
• Exact Mass: 426.371 Da
• Monoisotopic Mass: 426.371 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 370.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1