Sucrose Octanoate
[CAS# 42922-74-7]

Identification

• Name: Sucrose Octanoate
• Synonyms: [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-Bis(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] Octanoate; Octanoic Acid [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-Bis(Hydroxymethyl)-2-Tetrahydrofuranyl]-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl] Ester; Caprylic Acid [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-Dimethylol-Tetrahydrofuran-2-Yl]-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl] Ester
• Molecular Formula: C₂₀H₃₆O₁₂
• Molecular Weight: 468.50
• CAS Registry Number: 42922-74-7
• EINECS: 256-002-9
• SMILES: [C@@]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)(OC(CCCCCCC)=O)[C@]2(CO)[C@@H](O)[C@H](O)[C@H](O2)CO
• InChI: 1S/C20H36O12/c1-2-3-4-5-6-7-13(24)32-20(18(29)16(27)14(25)11(8-21)31-20)19(10-23)17(28)15(26)12(9-22)30-19/h11-12,14-18,21-23,25-29H,2-10H2,1H3/t11-,12-,14-,15-,16+,17+,18-,19+,20+/m1/s1
• InChIKey: CTSXEBOMCAJECV-GJPZWOLYSA-N

Properties

• Density: 1.47g/cm³ (Cal.)
• Boiling point: 697.027°C at 760 mmHg (Cal.)
• Flash point: 236.967°C (Cal.)