CAS No.126-14-7,Sucrose octaacetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	126-14-7
Name:	Sucrose octaacetate
Article Data:	31

Formula:	C₂₈H₃₈O₁₉
Molecular Weight:	678.598
Synonyms:	Sucrose,octaacetate (6CI,7CI,8CI);a-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, tetraacetate (9CI);2,3,4,6,1',3',4',6'-Octa-O-acetylsucrose;NSC 1695;Octa-O-acetylsucrose;Octaacetyl sucrose;Saccharose octaacetate;
EINECS:	204-772-1
Density:	1.28 g/cm³
Melting Point:	82-85 °C(lit.)
Boiling Point:	668.3 °C at 760 mmHg
Flash Point:	275 °C
Solubility:	slightly soluble in water
Appearance:	white to creamy white powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25-37/39-26
PSA:	238.09000
LogP:	-0.82920

Synthetic route

: 57-50-1
sucrose

: 108-24-7
acetic anhydride

: 126-14-7
sucrose octaacetate

Conditions

Conditions	Yield
With lithium perchlorate for 5h; Heating;	98%
With 1H-imidazole In acetonitrile at 20℃; for 10h;	98%
With Sulfuric acid immobilized on silica gel at 20℃; for 1h; neat (no solvent);	91%

: 108-24-7
acetic anhydride

: 57-50-1
Sucrose

: 126-14-7
sucrose octaacetate

Conditions

Conditions	Yield
With copper(II) perchlorate hexahydrate In neat (no solvent) at 20℃; for 0.5h; Inert atmosphere;	97%
With iodine at 50℃; for 0.166667h; Microwave irradiation;	96%
With butylmethylimidazolium dicyanamide at 25℃; for 24h;	93%

: 1092961-95-9
(1,4,6-tri-O-benzoyl-β-D-fructofuranosyl) 2,3,4,6-tetra-O-benzyl-α-D-glucopyranoside

: 108-24-7
acetic anhydride

: 126-14-7
sucrose octaacetate

Conditions

Conditions	Yield
Stage #1: (1,4,6-tri-O-benzoyl-β-D-fructofuranosyl) 2,3,4,6-tetra-O-benzyl-α-D-glucopyranoside With ammonia; sodium In tetrahydrofuran at -78℃; for 0.5h; Inert atmosphere; Stage #2: With acetic acid In tetrahydrofuran; methanol Inert atmosphere; Stage #3: acetic anhydride With pyridine; dmap Inert atmosphere;	96%

: 108-22-5
Isopropenyl acetate

: 57-50-1
Sucrose

: 126-14-7
sucrose octaacetate

Conditions

Conditions	Yield
With iodine at 20℃; for 0.5h;	92%

: 52706-47-5
1',2,3,3',4',6'-hexa-O-acetyl sucrose

: 108-24-7
acetic anhydride

A: 53269-82-2
1,3,4,6,-tetra-O-acetyl-β-D-fructofuranosyl 2,3,6-tri-O-acetyl-α-D-glucopyranoside

B: 126-14-7
sucrose octaacetate

Conditions

Conditions	Yield
In pyridine 1.) -70 deg C, 2.) -15 deg C, 72 h;	A 68% B 26%

...Expand

: 108-24-7
acetic anhydride

: 102069-21-6
1',2,3,4,6,6'-hexa-O-acetylsucrose

A: 53269-83-3
1,3,6,-tri-O-acetyl-β-D-fructofuranosyl 2,3,4,6-tetra-O-acetyl-α-D-glucopyranoside

B: 105444-14-2
1',2,3,4,4',6,6'-hepta-O-acetylsucrose

C: 126-14-7
sucrose octaacetate

Conditions

Conditions	Yield
In pyridine 1)-15 degC, 17 h, 2) r.t., 24 h;	A 43% B 7% C 26%
In pyridine 1) -15 degC, 17 h, 2) r.t., 24 h;	A 43% B 7% C 26%

...Expand

: 1883-12-1
3-ketosucrose

: 108-24-7
acetic anhydride

A: 75800-69-0
allo-sucrose octaacetate

B: 2,3,6-tri-O-acetyl-α-D-allopyranosyl 1,3,4,6-tetra-O-acetyl-β-D-fructofuranoside

C: 2,4,6-tri-O-acetyl-α-D-allopyranosyl 1,3,4,6-tetra-O-acetyl-β-D-fructofuranoside

D: 126-14-7
sucrose octaacetate

Conditions

Conditions	Yield
With pyridine; sodium tetrahydroborate 1.) water, 2.) RT, 15 h; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;	A n/a B n/a C 37% D n/a

...Expand

: 64-19-7
acetic acid

: 57-50-1
Sucrose

: 126-14-7
sucrose octaacetate

Conditions

Conditions	Yield
With trifluoroacetic anhydride

: 108-24-7
acetic anhydride

: 129264-68-2
(2,3,4,6-tetra-O-benzyl-α-D-glucopyranosyl) 3,4,6-tri-O-benzyl-1-(2,2,6,6-tetramethyl-1-piperidinyl)-β-D-fructofuranoside

: 126-14-7
sucrose octaacetate

Conditions

Conditions	Yield
With pyridine; ammonia; sodium 1) THF, -78 deg C, 4 h, 2) 0 deg C, 6 h; Yield given. Multistep reaction;

: 108-24-7
acetic anhydride

: 115520-96-2
2,3,4,6,6'-penta-O-acetyl-1'-O-p-toluenesulfonylsucrose

A: 88238-29-3
2,3,3',4,6,6'-hexa-O-acetyl-1',4'-anhydrosucrose

B: 73411-10-6, 115728-54-6
3,3',4,4',6,6'-hexa-O-acetyl-1',2-anhydrosucrose

C: 126-14-7
sucrose octaacetate

Conditions

Conditions	Yield
With methanol; sodium methylate 1) reflux, 24 h, 2) pyridine, r.t.; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

Raw Materials

108-24-7

57-50-1

108-22-5

64-19-7

Downstream Products

79-20-9

34816-22-3

57-50-1

Total:157 Page 1 of 5 1 2 3 4 5 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

1.Introduction of Sucrose octaacetate

The Sucrose octaacetate, also known as Octaacetylsucrose, is an acetylated derivative of sucrose with the formula C₂₈H₃₈O₁₉. It belongs to the product categories of Biochemistry; Disaccharides; O-Substituted Sugars; Sugars. Its EINECS registry number is 126-14-7. With the CAS registry number 126-14-7, its IUPAC name is Acetic acid [(2S,3S,4R,5R)-4-acetoxy-2,5-bis(acetoxymethyl)-2-[ [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6- (acetoxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydrofuranyl] ester. It is a white to creamy white powder.

2. Physical properties of Sucrose octaacetate

(1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 156.72; (6)ACD/BCF (pH 7.4): 156.72; (7)ACD/KOC (pH 5.5): 1296.82; (8)ACD/KOC (pH 7.4): 1296.82; (9)#H bond acceptors: 19; (10)#Freely Rotating Bonds: 21; (11)Index of Refraction: 1.508; (12)Molar Refractivity: 147.52 cm³; (13)Molar Volume: 494.4 cm³; (14)Surface Tension: 53.5 dyne/cm; (15)Density: 1.37 g/cm³; (16)Flash Point: 275 °C; (17)Enthalpy of Vaporization: 98.22 kJ/mol; (18)Boiling Point: 668.3 °C at 760 mmHg; (19)Vapour Pressure: 1.01E-17 mmHg at 25°C.

3.Structure descriptors of Sucrose octaacetate

(1)SMILES: O=C(O[C@H]1[C@H](O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)O[C@@]2(O[C@@H]([C@@H](OC(=O)C)[C@@H]2OC(=O)C)COC(=O)C)COC(=O)C)C
(2)InChI: InChI=1/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
(3)InChIKey: ZIJKGAXBCRWEOL-SAXBRCJIBA

4.Uses of Sucrose octaacetate

It is used commercially and industrially in a variety of applications. It is used as an inert ingredient in pesticides and herbicides. Sucrose octaacetate has been approved by the FDA as a food additive. It has a bitter taste which has led to its use as bitterant and an aversive agent. The chemical has also been used to determine tasters from non-tasters in mice.

5. Safety information of Sucrose octaacetate

This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable gloves and eye/face protection.

6. The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Chemical Toxicology. Vol. 20, Pg. 827, 1982.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Food and Chemical Toxicology. Vol. 20, Pg. 827, 1982.