HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
D-Isoleucin
D-ISOLEUCINE · D-Ile · H-D-ILE-OH · D-Ile-OH · d-isoleucin · (r)-isoleucine · D-IsoL · D-lle-OH
Identifikatoren & physikalische Daten
| CAS No. | 319-78-8 |
|---|---|
| Summenformel | C6H13NO2 |
| Durchschnittliche Molmasse | 131,17 g/mol |
| Monoisotopische Masse | 131,09462866 g/mol |
| SMILES | CC[C@@H](C)[C@@H](N)C(=O)O |
| InChIKey | AGPKZVBTJJNPAG-RFZPGFLSSA-N |
| PubChem CID | 76551 |
| ChEBI | CHEBI:27730 |
| EC No. | 206-269-2 |
| DTXSID | DTXSID1046346 |
| Lokaler Name | D-Isoleucin |
Chemische & physikalische Eigenschaften
| XLogP | -1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 103 |
| Stoffklassen | Biological Agents -> Amino Acids and Derivatives |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Soluble in waterInsoluble in etherInsoluble (in ethanol)Aqueous Acid (Slightly), Water (Slightly) |
| Dampfdruck | 0.00000001 [mmHg] |
| Physical Description | Solid[Sigma-Aldrich MSDS]Glistening solid[Merck Index] White powderWhite crystalline powderodourless |
| Collision Cross Section | 127.6 Ų [M+H]+ |
| Schmelzpunkt | 272-274 °C |
| Siedepunkt | 225.8±23.0 °C(Predicted) |
| Dichte | 1.1720 (estimate) |
| Brechungsindex | -40.5 ° (C=4, 6mol/L HCl) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 2.57±0.24(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Hauptanwendungen | cell analysis |
| InChI | InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1 |
| InChIKey | AGPKZVBTJJNPAG-RFZPGFLSSA-N |
| SMILES | C(O)(=O)[C@@H]([C@H](C)CC)N |
| CAS Datenbank | 319-78-8(CAS DataBase Reference) |
| EPA chemische Informationen | D-Isoleucine (319-78-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.Not ClassifiedAggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: DL-IsoleucineRegulation (EC) No 1831/2003 (amended)Isoleucine: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - DL-Isoleucine: Environment tier I assessment |
| Gefahrenübersicht | Causes altered sleep time (including change in righting reflex), dyspnea, and decreased body temperature in intraperitoneal lethal-dose studies of rats (LD50 = 6,822 mg/kg)[RTECS]Safe when used as a flavoring agent in food[JECFA] May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Not ClassifiedSkin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29224995 |
| RTECS-Nr. | NR4700000 |
| R-Sätze (R) | 40 |
| Toxizität | rat,LD50,intraperitoneal,6822mg/kg (6822mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)LUNGS, THORAX, OR RESPIRATION: DYSPNEA,Archives of Biochemistry and Biophysics. Vol. 64, Pg. 319, 1956. |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25-36-22 |
Anwendungen & Verwendung
Verwenden
May contain up to 10% allo-isomer.