Sorbitan, Octadecanoate (2:3)
[CAS# 51938-44-4]

Identification

• Name: Sorbitan, Octadecanoate (2:3)
• Synonyms: (3R,4S)-2-[(1R)-1,2-Dihydroxyethyl]Tetrahydrofuran-3,4-Diol; Stearic Acid; Sorbitan, Octadecanoate (2:3)
• Molecular Formula: C₅₄H₁₀₈O₁₉
• Molecular Weight: 1061.44
• CAS Registry Number: 51938-44-4
• EINECS: 257-529-7
• SMILES: [C@H]1(O)C(OC[C@@H]1O)[C@H](O)CO.[C@H]2(O)C(OC[C@@H]2O)[C@H](O)CO.[C@H]3(O)C(OC[C@@H]3O)[C@H](O)CO.C(C(=O)O)CCCCCCCCCCCCCCCC.C(C(=O)O)CCCCCCCCCCCCCCCC
• InChI: 1S/2C18H36O2.3C6H12O5/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*7-1-3(8)6-5(10)4(9)2-11-6/h2*2-17H2,1H3,(H,19,20);3*3-10H,1-2H2/t;;3*3-,4+,5-,6?/m..111/s1
• InChIKey: PAFJZWHXMSQJKV-UQZRNVAESA-N

Properties

• Boiling point: 359.4°C at 760 mmHg (Cal.)
• Flash point: 162.4°C (Cal.)