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Cas Database |
| Name |
beta-D-Galactose pentaacetate |
EINECS | 224-008-0 |
| CAS No. | 4163-60-4 | Density | 1.3 g/cm3 |
| PSA | 140.73000 | LogP | -0.36740 |
| Solubility | methanol: 50 mg/mL, clear | Melting Point |
143-144 °C(lit.) |
| Formula | C16H22O11 | Boiling Point | 434.8 °C at 760 mmHg |
| Molecular Weight | 390.344 | Flash Point | 188.1 °C |
| Transport Information | N/A | Appearance | white fine crystalline powder |
| Safety | 24/25-36/37/39-27-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Galactopyranose,pentaacetate, b-D-(8CI);b-D-Galactopyranose, pentaacetate(9CI);1,2,3,4,6-Penta-O-acetyl-b-D-galactopyranose;1,2,3,4,6-Penta-O-acetyl-b-D-galactopyranoside;1,2,3,4,6-Penta-O-acetyl-b-D-galactose;2,3,4,6-Tetra-O-acetyl-b-D-galactopyranosyl acetate;NSC 119334;NSC 1353;Penta-O-acetyl-b-D-galactopyranose;Pentaacetyl-b-D-galactose;b-Pentaacetylgalactose; |
Article Data | 105 |
beta-D-Galactose pentaacetate Synthetic route
| Conditions | Yield |
|---|---|
| With pyridine; dmap at 20℃; Inert atmosphere; | 100% |
| With iodine for 2h; cooling; | 98.6% |
| With sodium thiocyanide |
| Conditions | Yield |
|---|---|
| With sodium acetate at 120℃; for 1h; | 96% |
| Stage #1: acetic anhydride With sodium acetate at 100℃; for 0.5h; Stage #2: β-D-galactopyranoside at 100℃; for 1h; | 96% |
| With pyridine at 20℃; for 24h; | 95% |
| Conditions | Yield |
|---|---|
| sulfuric acid at 20℃; for 0.0833333h; sonication; | 94% |
| With sodium acetate at 120℃; | 94% |
| With sodium acetate for 0.00555556h; microwave irradiation; | 92% |
- 3254-15-7
3,4,6-tri-O-acetyl-1,2-O-(1-ethoxyethylidene)-α-D-galactopyranose
- 64-19-7
acetic acid
- 4163-60-4
β-D-galactose peracetate
| Conditions | Yield |
|---|---|
| for 1h; | 92.6% |
| Conditions | Yield |
|---|---|
| With sodium acetate at 100 - 130℃; under 760.051 Torr; for 4h; Large scale; | 92.5% |
- 10257-28-0
D-Galactose
- 127-09-3
sodium acetate
- 108-24-7
acetic anhydride
- 4163-60-4
β-D-galactose peracetate
| Conditions | Yield |
|---|---|
| for 4h; Reflux; | 92% |
| for 1h; Heating; | 81% |
| for 1h; | 81% |
| at 60℃; for 6h; | 67% |
| at 100℃; for 0.333333h; | 38% |
| Conditions | Yield |
|---|---|
| With boron trifluoride diethyl etherate In dichloromethane at -45 - -25℃; for 1h; | 89% |
- 50801-29-1
3,4,6-tri-O-acetyl-1,2-O-(1-methoxyethylidene)-α-D-galactopyranose
- 2754-27-0
trimethylsilyl acetate
A
- 130583-14-1
1,3,4,6-tetra-O-acetyl-2-O-trimethylsilyl-β-D-galactopyranose
B
- 4163-60-4
β-D-galactose peracetate
| Conditions | Yield |
|---|---|
| at 107℃; | A 14% B 83% |
- 7296-64-2
β-D-galactopyranoside
- 127-09-3
sodium acetate
- 108-24-7
acetic anhydride
- 4163-60-4
β-D-galactose peracetate
| Conditions | Yield |
|---|---|
| at 50 - 90℃; for 2.5h; | 83% |
| at 130℃; | 82% |
| for 3h; Reflux; | 53% |
| Conditions | Yield |
|---|---|
| With iodine Reagent/catalyst; | 70% |
beta-D-Galactose pentaacetate Chemical Properties
IUPAC Name: [(2S,3R,4S,5S,6R)-2,3,5-Triacetyloxy-6-(acetyloxymethyl)oxan-4-yl]acetate
Following is the structure of beta-D-Galactose pentaacetate (CAS NO.4163-60-4):
Molecular Formula: C16H22O11
Molecular Weight: 390.3393
EINECS: 224-008-0
Density:1.3 g/cm3
Flash Point:188.1 °C
Index of Refraction:1.482
Boiling Point:434.8 °C at 760 mmHg
Vapour Pressure:9.23E-08 mmHg at 25°C
Melting point:143-144 °C(lit.)
Storage temp:-20 °C
Solubility of beta-D-Galactose pentaacetate (CAS NO.4163-60-4): methanol: 50 mg/mL, clear
Appearance of beta-D-Galactose pentaacetate (CAS NO.4163-60-4): white fine crystalline powder
Product Categories of beta-D-Galactose pentaacetate (CAS NO.4163-60-4): Sugars, Carbohydrates & Glucosides; Biochemistry; Galactose; O-Substituted Sugars; Sugars
Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=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)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13+,14+,15-,16-/m1/s1
InChIKey: LPTITAGPBXDDGR-LYYZXLFJSA-N
beta-D-Galactose pentaacetate Toxicity Data With Reference
beta-D-Galactose pentaacetate (CAS NO.4163-60-4) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.
beta-D-Galactose pentaacetate Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36/37/39-27-26
S24/25:Avoid contact with skin and eyes.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S27:Take off immediately all contaminated clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 1
beta-D-Galactose pentaacetate Specification
beta-D-Galactose pentaacetate , its cas register number is 4163-60-4. It also can be called beta-D-Galactose pentaacetate (VAN) ; and 1,2,3,4,6-Penta-O-acetyl-beta-D-galactopyranose; Penta-O-acetyl-beta-D-galactopyranose . Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
beta-D-Galactose pentaacetate (CAS NO.4163-60-4) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide. However, its hazardous polymerization will not occur.
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