2,2-Bis(hydroxymethyl)butyl docosanoate

Base Information

• Chemical Name: 2,2-Bis(hydroxymethyl)butyl docosanoate
• CAS No.: 94201-60-2
• Molecular Formula: C28H56 O4
• Molecular Weight: 456.74184
• European Community (EC) Number: 303-648-5
• UNII: K6U9U77BLX
• DSSTox Substance ID: DTXSID80241015
• Nikkaji Number: J382.455A
• Wikidata: Q83124272
• Mol file: 94201-60-2.mol

Synonyms:2,2-Bis(hydroxymethyl)butyl docosanoate;94201-60-2;EINECS 303-648-5;K6U9U77BLX;UNII-K6U9U77BLX;SCHEMBL18429762;DTXSID80241015;C28H56O4;C28-H56-O4;2,2-bis-(Hydroxymethyl)butyl docosanoate;Docosanoic acid 2,2-bis(hydroxymethyl)butyl ester;Docosanoic acid, 2,2-bis(hydroxymethyl)butyl ester

Chemical Property of 2,2-Bis(hydroxymethyl)butyl docosanoate

Chemical Property:

• Vapor Pressure: 1.57E-13mmHg at 25°C
• Boiling Point: 531.8°C at 760 mmHg
• Flash Point: 156°C
• PSA: 66.76000
• Density: 0.933g/cm³
• LogP: 7.73250
• XLogP3: 10.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 26
• Exact Mass: 456.41786026
• Heavy Atom Count: 32
• Complexity: 393

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO

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