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(+)-Pantolactone
(S)-3-Hydroxy-4,4-diMethyldihydrofuran-2(3H)-one · L-PANTOLACTONE · L-PantolaCLone · (+)-Pantolactone · (S)-(+)-PANTOLACTONE · L-(+)-PANTOYL LACTONE · (S)-(+)-Pantolactone 97% · L-PANTOLACTONE ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 5405-40-3 |
|---|---|
| Summenformel | C6H10O3 |
| Durchschnittliche Molmasse | 130,14 g/mol |
| Monoisotopische Masse | 130,06299418 g/mol |
| SMILES | CC1(C)COC(=O)[C@H]1O |
| InChIKey | SERHXTVXHNVDKA-SCSAIBSYSA-N |
| PubChem CID | 736053 |
| EC No. | 626-470-2 |
| DTXSID | DTXSID801316664 |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 139 |
| Schmelzpunkt | 90-94 °C |
| Siedepunkt | 120-122 °C/15 mmHg(lit.) |
| Dichte | 1.1066 (rough estimate) |
| Dampfdruck | 8.44Pa at 25℃ |
| Brechungsindex | 1.4730 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly), Water (Slightly)Soluble in water, hardly soluble in alcohol. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 13.12±0.40(Predicted) |
| Farbe | White to Off-White |
| BRN | 4659425 |
| InChI | 1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m1/s1 |
| InChIKey | SERHXTVXHNVDKA-SCSAIBSYSA-N |
| SMILES | CC1(C)COC(=O)[C@H]1O |
| LogP (Verteilungskoeffizient) | -0.69 at 21℃ and pH6.3-6.5 |
| Oberflächenspannung | 71.69mN/m at 1g/L and 20℃ |
| CAS Datenbank | 5405-40-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | REACH registered substance: (S)-2-Hydroxy-3,3-dimethyl-4-butanolide (EC: 626-470-2) |
| Hazard Classes and Categories | Eye Dam. 1 (97.6%) |
| F | 3-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2932190090 |
| R-Sätze (R) | 41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Dam. 1 |
Anwendungen & Verwendung
Verwenden
(S)-(+)-Pantolactone is a versatile cyclic ester reactant used in the preparation of tunable ligands carbohydrate-derived diarylphosphinites for asymetric catalysis hydrovinylation of styrene derivatives.