alpha-D-Glucopyranoside, beta-D-fructofuranosyl, diacetate hexakis(2-methylpropanoate)

Base Information

• Chemical Name: alpha-D-Glucopyranoside, beta-D-fructofuranosyl, diacetate hexakis(2-methylpropanoate)
• CAS No.: 126-13-6
• Molecular Formula: C40H62O19
• Molecular Weight: 846.91
• Hs Code.: 2938909090
• European Community (EC) Number: 204-771-6
• DSSTox Substance ID: DTXSID3027035
• Nikkaji Number: J184.347H
• Wikipedia: Sucrose_acetate_isobutyrate
• Wikidata: Q76146207
• Mol file: 126-13-6.mol

Synonyms:126-13-6;alpha-D-Glucopyranoside, beta-D-fructofuranosyl, diacetate hexakis(2-methylpropanoate);[(2S,3S,4R,5R)-5-(acetyloxymethyl)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;a-D-Glucopyranoside,6-O-acetyl-1,3,4-tris-O-(2-methyl-1-oxopropyl)-b-D-fructofuranosyl,6-acetate 2,3,4-tris(2-methylpropanoate);SCHEMBL41578;Sucrose acetate isobutyrate, FG;DTXSID3027035;sucrose acetate isobutyrate ester;W-108396;6-O-acetyl-1,3,4-tri-O-isobutyryl-beta-D-fructofuranosyl 6-O-acetyl-2,3,4-tri-O-isobutyryl-alpha-D-glucopyranoside

Chemical Property of alpha-D-Glucopyranoside, beta-D-fructofuranosyl, diacetate hexakis(2-methylpropanoate)

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow viscous liquid
• Vapor Pressure: 40 mm Hg ( 20 °C)
• Melting Point: -83 °C
• Refractive Index: n20/D 1.446
• Boiling Point: 758.598 °C at 760 mmHg
• Flash Point: 296.582 °C
• PSA: 238.09000
• Density: 1.227 g/cm³
• LogP: 2.98740
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 27
• Exact Mass: 846.38852974
• Heavy Atom Count: 59
• Complexity: 1500

Purity/Quality:

98% ^*data from raw suppliers

Sucrose acetoisobutyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi,F
• Hazard Codes: Xi,Xn,F
• Statements: 20/21/22-36/37/38-68/20/21/22-10-52/53-11
• Safety Statements: 16-26-36-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: CC(C)C(=O)OCC1(C(C(C(O1)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C
• Isomeric SMILES: CC(C)C(=O)OC[C@@]1([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C
• Uses: food additive, plasticizer