Identifikatoren & physikalische Daten
| CAS No. | 54910-68-8 |
|---|
| Summenformel | C6H10O6 |
|---|
| Durchschnittliche Molmasse | 178,14 g/mol |
|---|
| Monoisotopische Masse | 178,04773804 g/mol |
|---|
| SMILES | O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
|---|
| InChIKey | PHOQVHQSTUBQQK-SQOUGZDYSA-N |
|---|
| PubChem CID | 7027 |
|---|
| ChEMBL | CHEMBL1200829 |
|---|
| ChEBI | CHEBI:16217 |
|---|
| EC No. | 202-016-5 |
|---|
| DTXSID | DTXSID0026549 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | -2 |
|---|
| Polarare Oberfläche (TPSA) | 107 |
|---|
| H-Brücken-Donoren | 4 |
|---|
| H-Brücken-Akzeptoren | 6 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 181 |
|---|
| Stoffklassen | Other Uses -> Food Additives |
|---|
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
|---|
| Kosmetika | Cosmetic ingredients (Glucarolactone) -> CIR (Cosmetic Ingredient Review)Cosmetic ingredients (Gluconolactone) -> CIR (Cosmetic Ingredient Review)Skin conditioningSolventHumectant |
|---|
| pH | Freshly prepared aqueous solution has pH of 3.6, changing to 2.5 within 2 hours |
|---|
| SpringerMaterials Properties | Crystal structure |
|---|
| Geschmack | Sweet taste |
|---|
| Lebensmittelzusatzstoffe | CURING OR PICKLING AGENT, FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, FORMULATION AID, LEAVENING AGENT, PH CONTROL AGENT, SEQUESTRANT -> FDA Substance added to food |
|---|
| Dichte | 1.610 g/cu cm at -5 °C |
|---|
| Color/Form | White crystals |
|---|
| Löslichkeit | Freely soluble in water. Sparingly soluble in ethanol1 gram in 100 grams alcoholinsoluble in ether and acetone.In water, 5.9X10+5 mg/L at 25 °C590.0 mg/mL |
|---|
| Human Drugs | FDA approved drugs -> Active ingredient |
|---|
| Animal Drugs | Pharmaceuticals -> UK Veterinary Medicines Directorate List |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 98.7% (231 of 234) of all reports.Not ClassifiedAggregated GHS information provided per 234 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|
| Regulatorische Informationen | Chemical: D-Gluconic acid, .delta.-lactoneD-Gluconic acid, .delta.-lactone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of D-Gluconic acid, .delta.-lactone are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 20-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/1952Gluconolactone: Does not have an individual approval but may be used under an appropriate group standard |
|---|
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
|---|
| Gefahrenübersicht | Not irritating or sensitizingNo significant adverse effects observed in sub-chronic or chronic animal studiesNo evidence of reproductive or developmental toxicity[OECD SIDS: Gluconic acid and its derivatives - 2004] Hydrolyzed by water forming gluconic acid[Merck Index] May cause irritation[Alfa Aesar MSDS] See Gluconic acid. |
|---|
| EPA Safer Chemical | Chemical: Gluconolactone |
|---|
| Hazard Classes and Categories | Not Classified |
|---|
| Entsorgungsverfahren | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations. |
|---|
