CAS Registry Number®
126-14-7
CAS Name
Octaacetyl sucrose
Molecular Formula
C28H38O19
Molecular Mass
678.59
Compound Properties
-
Boiling Point (1)
0.180-5 °C @ Press: 1 x 10-4 Torr
-
Melting Point (2)
86.5 °C
-
Density (3)
1.335 g/cm3
Source(s)
- (1) Bredereck, Hellmut; Chemische Berichte, (1953), 86, 47-54, CAplus
- (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (3) West, C. D.; Journal of the American Chemical Society, (1941), 63, 630, CAplus
Other Names and Identifiers
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/t20-,21-,22-,23-,24+,25-,26+,27-,28+/m1/s1
InChIKey
InChIKey=ZIJKGAXBCRWEOL-SAXBRCJISA-N
SMILES
O([C@@]1(COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O1)[C@@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O2
Canonical SMILES
O=C(OCC1OC(OC2(OC(COC(=O)C)C(OC(=O)C)C2OC(=O)C)COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
Other Names for this Substance
- α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl, 2,3,4,6-tetraacetate
- Sucrose, octaacetate
- α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl, tetraacetate
- Octaacetyl sucrose
- 2,3,4,6,1′,3′,4′,6′-Octa-O-acetylsucrose
- Octa-O-acetylsucrose
- Saccharose octaacetate
- NSC 1695
- Monopet SOA
Deleted or Replaced CAS Registry Numbers
68006-08-6, 94273-23-1
