sucrose acetate isobutyrate
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :[(2S,3S,4R,5R)-2-(acetyloxymethyl)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-4-(2-methylpropanoyloxy)-5-(2-methylpropanoyloxymethyl)ox
InChI :InChI=1/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-SWTLDUCYBE
SMILES :CC(C)C(=O)OCC1C(C(C(O1)(COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C
cas number :126-13-6
(EINECS) number :204-771-6
molar refractivity :202.95 ± 0.4 cm3
parachor :1806.4 ± 6.0 cm3
index of refraction :1.500 ± 0.03
surface tension :46.9 ± 5.0 dyne/cm
density :1.22 ± 0.1 g/cm3
polarizability :80.45 ± 0.5 10-24cm3
XlogP : 3.30
molecular weight : 846.9088800
formula :C40 H62 O19
BioActivity Analysis :48414477
NMR Predictor :Predict
 
 
export tariff code :2915.60.0000
fda reg :172.833
175.105

Suppliers :
Berje :Sucrose Acetate iso Butyrate
Penta :sucrose acetate isobutyrate
90% in ethyl acetate
Penta :sucrose acetate isobutyrate
90% in ethyl alcohol
Penta :sucrose acetate isobutyrate
food grade, Kosher
Sigma-Aldrich-SAFC :Sucrose acetate isobutyrate solution
FG

organoleptics :

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.10000 @ 25.00 °C.
refractive index :1.44600 @ 20.00 °C.
boiling point : 105.00 °C. @ 760.00 mm Hg
acid value : 0.50  max.  KOH/g
saponification value :524.00 to 540.00
flash point : 61.00  °F.  TCC  ( 16.11 °C. )

safety :
Oral Toxicity(LD50) :
  Intraperitoneal-Mouse    25600.00  mg/kg

Oral-Mouse    >25600.00  mg/kg

Intraperitoneal-Rat    25600.00  mg/kg

Oral-Rat    25600.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 

safety references :
EPI System :view
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Carcinogenic Potency Database :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1170
 
WGK Germany :3
 
 
 
 [(2S,3S,4R,5R)-2-(acetyloxymethyl)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-4-(2-methylpropanoyloxy)-5-(2-methylpropanoyloxymethyl)ox
(EINECS) number :204-771-6
chemidplus :000126136
EPA Substance Registry Services :126-13-6
dtp/nci :40830

references :
 [(2S,3S,4R,5R)-2-(acetyloxymethyl)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-4-(2-methylpropanoyloxy)-5-(2-methylpropanoyloxymethyl)ox
pubchem :173403

Cosmetics :
Cosmetic uses : film formers
plasticisers

other :
CosIng :cosmetic data
Household Products : Search
synonyms :
6-O-acetyl-1,3,4-tris-O-(2-methyl-1-oxopropyl)-beta-D-fructofuranosyl alpha-D-glucopyranoside 6-acetate 2,3,4-tris(2-methylpropanoate)
[(2S,3S,4R,5R)-2-(acetyloxymethyl)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-4-(2-methylpropanoyloxy)-5-(2-methylpropanoyloxymethyl)ox
isobutyric acid hexaester with sucrose diacetate
 saccharose acetate isobutyrate
 sucrose acetoisobutyrate
 sucrose di(acetate) hexaisobutyrate
 sucrose diacetate hexaisobutyrate

(odor and/or flavor) used in :
 film formers

natural occurrence in :
not found in nature



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