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| Other Sizes |
| Targets |
Sucrose octaacetate does not have a specific biological target in the context of drug development. It is a chemical agent that functions primarily as a bittering agent and denaturant. Its mechanism of action is physical rather than pharmacological; the intensely bitter taste of sucrose octaacetate serves as an aversive stimulus to deter ingestion or habits such as nail-biting. As a denaturant, it renders ethanol unfit for human consumption by imparting a bitter taste. In industrial applications, it acts as a plasticizer and adhesive due to its chemical properties.
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| ln Vitro |
Because of its bitter taste, sucrose octaacetate is non-toxic and has a wide range of uses. For instance, sucrose octaacetate at a concentration of 0.06% (w/w) becomes excessively bitter when ingested. There are 255 distinct isomers and breakdown products that sucrose octaacetate can generate, and they all have extremely low molar absorptivities [1]. 2 and 3 g of sucrose octaacetate were used to create polyaniline (PANI) nanofibers and nanorods, respectively. An increase in sucrose octaacetate concentration led to the observation of nanostructures with irregularly formed agglomerates, such as particles and scaffolds. The molecular structure of the resultant polyaniline remains unaffected by the presence of sucrose octaacetate during the polymerization process, only causing morphological modifications. Due to its increased crystallinity, highly ordered structure, and electrical conductivity, 2 g of sucrose octaacetate-polymerized PANI exhibits higher thermal stability than 1, 3, and 4 g of PANI produced from sucrose octaacetate [3].
Sucrose octaacetate does not exhibit significant pharmacological activity in standard in vitro assays. Its primary biological effects are related to its bitter taste perception rather than enzymatic or receptor modulation. The compound is not typically evaluated for in vitro activity in the context of drug discovery because it is not intended to have therapeutic effects. Instead, its in vitro properties are characterized in terms of its physical and chemical stability, solubility, and compatibility with other formulation ingredients. It is soluble in organic solvents and has a melting point of 78-85°C. |
| ln Vivo |
No recombination between the sucrose octaacetate avoidance phenotype and the PRP haplotype was detected in any mouse population. Therefore, Soa and Prp are either very near or identical. To examine the latter hypothesis, two type A proline-rich protein genes (MP2 and M14) (∼30 kb apart at the Prp locus) were separately separated from a sucrose octaacetate taster inbred strain ( SWR) were transplanted to sucrose octaacetate-non-taste inbred line (FVB). In a two-bottle test, 5 MP2 transgenic mice and 7 M14 transgenic mice were insensitive to 1 mM sucrose octaacetate, thereby keeping the non-taste FVB phenotype. Expression of type A Prp gene mRNA alone or combined does not enhance SOA taste sensitivity in non-taster mice [2].
Sucrose octaacetate is not a pharmacologically active compound and is not evaluated for in vivo activity in therapeutic animal models. Its in vivo effects are limited to its role as a bittering agent, which is perceived through taste receptors when ingested. In animal studies, it may be used as a control or vehicle component rather than as a test article. Its safety and tolerability have been established through its use as a food additive and pharmaceutical excipient. No specific in vivo efficacy studies are conducted for sucrose octaacetate because it is not intended to treat any disease. |
| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to sucrose octaacetate because it does not function as a receptor ligand or enzyme inhibitor. However, its bitter taste is mediated by interaction with taste receptors (TAS2Rs) on the tongue. In non-cellular systems, the compound may be characterized by physicochemical methods such as HPLC for purity analysis, melting point determination, and solubility testing. Its stability under various conditions may also be assessed to ensure its suitability as a formulation ingredient. These assays confirm its identity and quality but do not measure pharmacological activity.
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| Cell Assay |
In vitro cellular assays are not typically performed for sucrose octaacetate because it is not a drug candidate. When used in cell culture, it may be tested for cytotoxicity to ensure it does not adversely affect cell viability at concentrations used in formulations. Standard cytotoxicity assays such as MTT or LDH release can be employed to assess cell viability following exposure to sucrose octaacetate. However, these are not routine tests for this compound, as it is primarily used as an excipient or bittering agent rather than as an active pharmacological agent.
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| Animal Protocol |
In vivo animal experiments are not conducted to evaluate the therapeutic efficacy of sucrose octaacetate. However, animal studies may be performed to assess its safety and toxicological profile when used as a food additive or pharmaceutical ingredient. Standard toxicology studies in rodents may include acute and subchronic oral administration to determine the no-observed-adverse-effect level (NOAEL). These studies evaluate parameters such as body weight, food consumption, clinical signs, hematology, clinical chemistry, and histopathology. The compound's bitter taste is also evaluated in taste aversion studies.
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| ADME/Pharmacokinetics |
Sucrose octaacetate is not absorbed systemically to a significant extent; it is primarily metabolized and excreted. As a food additive and pharmaceutical excipient, its pharmacokinetic properties are not well characterized because it is not intended to reach systemic circulation. When ingested, it is likely hydrolyzed by esterases in the gastrointestinal tract to release sucrose and acetic acid, which are then metabolized through normal physiological pathways. Its role as a denaturant and bittering agent does not require systemic bioavailability, so detailed pharmacokinetic studies are not typically performed.
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| Toxicity/Toxicokinetics |
Sucrose octaacetate has a well-established safety profile. It is generally recognized as safe (GRAS) for use as a food additive and is approved for use in pharmaceutical formulations as an alcohol denaturant. As a primary irritant, it may cause irritation upon contact with skin or mucous membranes. The compound is not considered highly toxic, and its use in consumer products is regulated to ensure safety. In toxicology studies, the compound is evaluated for potential adverse effects, but no significant toxicity has been reported at intended use levels.
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| References |
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| Additional Infomation |
Sucrose octaacetate is a glycoside. It has been reported that sucrose octaacetate has been found in the algae Planchonella vitiensis, and relevant data are available for reference.
Sucrose octaacetate is a versatile compound with multiple applications beyond its use as a bittering agent. It is used as a denaturant for alcohol in pharmaceutical and cosmetic products, as a soaker for paper, and as a plasticizer for cellulosic synthetic resins. The compound is also incorporated into preparations to deter nail-biting or thumb-sucking. Its intensely bitter taste makes it an effective aversive agent. Sucrose octaacetate is not a drug and has no therapeutic indications. It is a well-established chemical with a long history of safe use in consumer and industrial products. |
| Molecular Formula |
C28H38O19
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|---|---|
| Molecular Weight |
678.59
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| Exact Mass |
678.2
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| CAS # |
126-14-7
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| PubChem CID |
31340
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
668.3±55.0 °C at 760 mmHg
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| Melting Point |
82-85 °C(lit.)
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| Flash Point |
275.0±31.5 °C
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| Vapour Pressure |
0.0±2.0 mmHg at 25°C
|
| Index of Refraction |
1.509
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| LogP |
3.19
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| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
19
|
| Rotatable Bond Count |
21
|
| Heavy Atom Count |
47
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| Complexity |
1210
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| Defined Atom Stereocenter Count |
9
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| SMILES |
FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])OC1C(=C([H])C(C(=O)OC([H])([H])C([H])([H])C(C2C([H])=C(C3=C(C=2[H])C(C2C([H])=C(C([H])=C(C3=2)[N+](=O)[O-])[N+](=O)[O-])=O)[N+](=O)[O-])=O)=C([H])C=1OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F.O=C=C([H])[H]
|
| InChi Key |
ZIJKGAXBCRWEOL-SAXBRCJISA-N
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| InChi Code |
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
|
| Chemical Name |
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetate
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| Synonyms |
NSC-1695; NSC 1695; Sucrose octaacetate
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~147.36 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.07 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (3.07 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (3.07 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.4736 mL | 7.3682 mL | 14.7364 mL | |
| 5 mM | 0.2947 mL | 1.4736 mL | 2.9473 mL | |
| 10 mM | 0.1474 mL | 0.7368 mL | 1.4736 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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