Saccharose acetate isobutyrate
[CAS# 126-13-6]

Identification

• Classification: Biochemical >> Carbohydrate >> Double sugar
• Name: Saccharose acetate isobutyrate
• Synonyms: [(2S,3S,4R,5R)-2-(Acetoxymethyl)-2-[(2R,3R,4S,5R,6R)-6-(Acetoxymethyl)-3,4,5-Tris(2-Methylpropanoyloxy)Tetrahydropyran-2-Yl]Oxy-4-(2-Methylpropanoyloxy)-5-(2-Methylpropanoyloxymethyl)Tetrahydrofuran-3-Yl] 2-Methylpropanoate; 2-Methylpropanoic Acid [(2S,3S,4R,5R)-2-(Acetoxymethyl)-2-[[(2R,3R,4S,5R,6R)-6-(Acetoxymethyl)-3,4,5-Tris(2-Methyl-1-Oxopropoxy)-2-Tetrahydropyranyl]Oxy]-4-(2-Methyl-1-Oxopropoxy)-5-[(2-Methyl-1-Oxopropoxy)Methyl]-3-Tetrahydrofuranyl] Ester; 2-Methylpropionic Acid [(2S,3S,4R,5R)-2-(Acetoxymethyl)-2-[(2R,3R,4S,5R,6R)-6-(Acetoxymethyl)-3,4,5-Triisobutyryloxy-Tetrahydropyran-2-Yl]Oxy-4-Isobutyryloxy-5-(Isobutyryloxymethyl)Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₄₀H₆₂O₁₉
• Molecular Weight: 846.92
• CAS Registry Number: 126-13-6
• EINECS: 204-771-6
• SMILES: [C@]1([C@H]([C@H](OC(=O)C(C)C)[C@H](O1)COC(=O)C(C)C)OC(=O)C(C)C)(O[C@@H]2[C@@H]([C@@H](OC(=O)C(C)C)[C@@H]([C@H](O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)COC(=O)C
• InChI: 1S/C40H62O19/c1-18(2)33(43)50-16-27-29(54-35(45)20(5)6)32(57-38(48)23(11)12)40(58-27,17-51-25(14)42)59-39-31(56-37(47)22(9)10)30(55-36(46)21(7)8)28(53-34(44)19(3)4)26(52-39)15-49-24(13)41/h18-23,26-32,39H,15-17H2,1-14H3/t26-,27-,28-,29-,30+,31-,32+,39-,40+/m1/s1
• InChIKey: UVGUPMLLGBCFEJ-SWTLDUCYSA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 758.598°C at 760 mmHg (Cal.)
• Flash point: 296.582°C (Cal.)