Diisooctyl sebacate

Base Information

• Chemical Name: Diisooctyl sebacate
• CAS No.: 27214-90-0
• Deprecated CAS: 1330-98-9
• Molecular Formula: C26H50O4
• Molecular Weight: 426.67
• European Community (EC) Number: 248-333-2
• UNII: ZD1TEK0P5Y
• DSSTox Substance ID: DTXSID3067287
• Wikidata: Q27295328
• Mol file: 27214-90-0.mol

Synonyms:Diisooctyl sebacate;27214-90-0;bis(6-methylheptyl) decanedioate;Decanedioic acid, diisooctyl ester;Decanedioic acid, 1,10-diisooctyl ester;ZD1TEK0P5Y;Sebacic acid, bis(6-methylheptyl) ester;106-04-7;UNII-ZD1TEK0P5Y;EINECS 248-333-2;HALLGREEN DCS;NIKKOL GS-DMHS;starbld0000642;SCHEMBL517937;Bis(6-methylheptyl)decanedioate;diisooctyl sebacate, AldrichCPR;DTXSID3067287;ZWYAVGUHWPLBGT-UHFFFAOYSA-N;DIISOOCTYL SEBACATE [INCI];AKOS016012591;A877000;Q27295328

Chemical Property of Diisooctyl sebacate

Chemical Property:

• Vapor Pressure: 1.57E-07mmHg at 25°C
• Refractive Index: 1.453
• Boiling Point: 428 °C at 760 mmHg
• Flash Point: 189.7 °C
• PSA: 52.60000
• Density: 0.916 g/cm³
• LogP: 7.62640
• Storage Temp.: 2-8°C
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 23
• Exact Mass: 426.37091007
• Heavy Atom Count: 30
• Complexity: 366

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bis(6-methylheptyl)decanedioate 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C