SucroseOctaacetate, CAS:126-14-7

Sucrose octaacetate is used commercially and industrially in a variety of applications including as an inert ingredient in pesticides and herbicides and has been approved by the EPA as an inert ingredient in pesticides due to its low toxicity. It has also been approved by the FDA as a food additive. It has a bitter taste and is used as a bitterant to deter accidental ingestion. Sucrose octaacetate, also known as octaacetyl sucrose or fema 3038, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Sucrose octaacetate exists as a solid and is considered to be practically insoluble (in water) and relatively neutral. Within the cell, sucrose octaacetate is primarily located in the cytoplasm. Sucrose octaacetate has a bitter and odorless taste. Title: Sucrose Octaacetate CAS Registry Number: 126-14-7 Molecular Formula: C28H38O19 Molecular Weight: 678.59 Percent Composition: C 49.56%, H 5.64%, O 44.80% Literature References: Prepn from sucrose: Linstead et al., J. Am. Chem. Soc. 62, 3260 (1940). Synthesis: Lemieux, Huber, ibid. 78, 4117 (1956). Properties: Hygroscopic, intensely bitter needles from alcohol, mp 89?; dec above 285?; bp1 260?. [a]D25.4 +58.5? (c = 2.56 in abs alcohol). nD 1.4660. Sol in 1100 parts water, 1.1 parts acetal, 0.7 part glacial acetic acid, 0.3 part acetone, 11 parts alcohol, 0.6 part benzene, 22 parts carbon tetrachloride, about 0.5 part methyl acetate, 7 parts paraldehyde, about 0.5 part toluene. Melting point: mp 89? Boiling point: bp1 260? Optical Rotation: [a]D25.4 +58.5? (c = 2.56 in abs alcohol) Index of refraction: nD 1.4660 Use: Adhesive; impregnating and insulating papers; in lacquers and plastics; as a denaturant for alcohol. CAS Number 126-14-7 Product Name Sucrose octaacetate IUPAC Name [3,4,5-triacetyloxy-6-[3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetate Molecular Formula C28H38O19 Molecular Weight 678.59 g/mol InChI InChI=1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3 InChI Key ZIJKGAXBCRWEOL-SAXBRCJISA-N SMILES CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C Solubility 0.91 mg/mL Synonyms octaacetyl sucrose, sucrose octa acetate, sucrose octaacetate, sucrose octaacetate, ((alpha-D)-fructofuranosyl)-isomer Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C Isomeric SMILES CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C CAS No: 126-14-7 Synonyms: D-Saccharose octaacetate MDL No: MFCD00006623 Chemical Formula: C28H38O19 Molecular Weight: 678.59 ??.In Stock. COA: Product name : Sucrose Octaacetate CAS: 126-14-7 M.F. : C 28 H 38 O 19 M .W. : 678.59 Batch No : 20130401 Quantity : 1.8 kg Items Standards Results Appearance White crystal powder Complies Solubility Insoluble in water, easily soluble CHCl 3 Complies Identification IR and HPLC Complies Melting point 80 ?C ~ 85 ?C 80 ?C ~ 83 ?C Specific rotation (CHCl3) +58? ~ +60? +59.2? Any other impurity Max. 0.5% Complies Total impurity Max. 2% Complies, 1.7% Water Max. 0.5% 0.2% Residue on ignition Max. 0.1% 0.01% Assay by HPLC Min. 98% 99.3%