HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(2-Ethylhexyl)-thioglykolat
2-ETHYLHEXYL THIOGLYCOLATE · 2-EHTG · OCTYL THIOGLYCOLATE · Ethylhexyl thioglycolate · Ethylhexyl mercaptoacetate · 2-Ethylhexylmercaptoacetat · THIOGLYCOLIC ACID 2-ETHYLHEXYL ESTER · 2-EHTG(TM)
Identifikatoren & physikalische Daten
| CAS No. | 7659-86-1 |
|---|---|
| Summenformel | C10H20O2S |
| Durchschnittliche Molmasse | 204,33 g/mol |
| Monoisotopische Masse | 204,11840088 g/mol |
| SMILES | CCCCC(CC)COC(=O)CS |
| InChIKey | OWHSTLLOZWTNTQ-UHFFFAOYSA-N |
| PubChem CID | 24309 |
| ChEMBL | CHEMBL1869371 |
| EC No. | 231-626-4 |
| DTXSID | DTXSID4027656 |
| Lokaler Name | (2-Ethylhexyl)-thioglykolat |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 27,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 137 |
| Physical Description | Liquid |
| Siedepunkt | 255-260 °C (lit.) |
| Dichte | 0.972 g/mL at 20 °C (lit.) |
| Dampfdruck | 3.6Pa at 25℃ |
| Brechungsindex | n20/D 1.461 |
| Flammpunkt | 136 °C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 4.73mg/l4.73mg/L at 20℃ |
| pKa (Säurekonstante) | 7.95±0.10(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| BRN | 9047474 |
| InChI | 1S/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3 |
| InChIKey | OWHSTLLOZWTNTQ-UHFFFAOYSA-N |
| SMILES | CCCCC(CC)COC(=O)CS |
| LogP (Verteilungskoeffizient) | 4.7 at 20℃ |
| CAS Datenbank | 7659-86-1(CAS DataBase Reference) |
| EPA chemische Informationen | Acetic acid, mercapto-, 2-ethylhexyl ester (7659-86-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.8% (5 of 271) of reports.WarningH226 (14%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 271 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, mercapto-, 2-ethylhexyl esterAcetic acid, 2-mercapto-, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-mercapto-, 2-ethylhexyl ester 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: 23-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/133852-Ethylhexyl thioglycolate: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Alkyl mercaptoacetates (C8): Human health tier II assessment |
| Hazard Classes and Categories | Flam. Liq. 3 (14%)Acute toxicity - category 4Flammable liquids - Category 3 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3272 3/PG 3 |
| Zollcode | 29309070 |
| RTECS-Nr. | AI7255000 |
| R-Sätze (R) | 10-20/22-36/37/38 |
| Gefahrensymbole | Xn |
Anwendungen & Verwendung
Verwenden
2-Ethylhexyl mercaptoacetate can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.