Isostearyl behenate

Base Information

• Chemical Name: Isostearyl behenate
• CAS No.: 125804-16-2
• Molecular Formula: C40H80 O2
• Molecular Weight: 593.06200
• UNII: NA95U012OW
• DSSTox Substance ID: DTXSID30154944
• Nikkaji Number: J1.611.275E
• Wikidata: Q27284761
• Mol file: 125804-16-2.mol

Synonyms:Isostearyl behenate;Pelemol ISB;125804-16-2;Isostearyl behenate [INCI];16-METHYLHEPTADECYL DOCOSANOATE;Docosanoic acid, isooctadecyl ester;UNII-NA95U012OW;NA95U012OW;SCHEMBL151347;DTXSID30154944;MNAKZOVRDUDCTC-UHFFFAOYSA-N;Q27284761

Chemical Property of Isostearyl behenate

Chemical Property:

• PSA: 26.30000
• LogP: 14.46890
• XLogP3: 19.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 37
• Exact Mass: 592.61583179
• Heavy Atom Count: 42
• Complexity: 500

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C

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