Isocetyl stearate

Base Information

• Chemical Name: Isocetyl stearate
• CAS No.: 25339-09-7
• Deprecated CAS: 27251-91-8
• Molecular Formula: C34H68O2
• Molecular Weight: 509.02
• European Community (EC) Number: 246-868-6
• UNII: 3RJ7186O9W
• DSSTox Substance ID: DTXSID80274207
• Nikkaji Number: J464.112D
• Wikidata: Q25385096
• RXCUI: 1313240
• ChEMBL ID: CHEMBL3187837
• Mol file: 25339-09-7.mol

Synonyms:Isocetyl stearate;25339-09-7;14-methylpentadecyl octadecanoate;Octadecanoic acid, isohexadecyl ester;Stearic acid, isohexadecyl ester;3RJ7186O9W;Isohexadecyl stearate;Kessco ICS;Standamul 7061;14-methylpentadecyl stearate;Stearic acid, isocetyl ester;EINECS 246-868-6;UNII-3RJ7186O9W;Octadecanoic acid, isocetyl ester;iso-cetyl stearate;CRODAMOL ICS;JEECHEM ICS;RITAPHYL ICS;DERMOL ICS;NIKKOL ICS-R;ISOPALMITYL STEARATE;CERAPHYL 494;AEC ISOCETYL STEARATE;DSSTox_CID_27179;DSSTox_RID_82176;DUB SIS 16;DSSTox_GSID_47179;isocetyl stearate, AldrichCPR;SCHEMBL220653;CHEMBL3187837;ISOCETYL STEARATE [INCI];DTXSID80274207;LGEZTMRIZWCDLW-UHFFFAOYSA-N;Tox21_303638;ISOHEXADECYL ALCOHOL, STEARATE;NCGC00256794-01;CAS-25339-09-7;Q25385096

Chemical Property of Isocetyl stearate

Chemical Property:

• Vapor Pressure: 5.18E-11mmHg at 25°C
• Melting Point: 37°C (estimate)
• Refractive Index: 1.455
• Boiling Point: 522.4 °C at 760 mmHg
• Flash Point: 275.9 °C
• PSA: 26.30000
• Density: 0.857 g/cm³
• LogP: 12.12830
• XLogP3: 16
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 31
• Exact Mass: 508.52193141
• Heavy Atom Count: 36
• Complexity: 417

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C
• Uses: isocetyl stearate is an emollient.