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Isooctylmercaptoacetat
IOTG · Nsc9590 · IOTG(TM) · IsooctylThioglycoalte · ISOOCTYLTHIOGLYCOLLATE · ISOOCTYL THIOGLYCOLATE · Isooctylmercaptoacetat · isooctylmercaptoacetate
Identifikatoren & physikalische Daten
| CAS No. | 106-76-3 |
|---|---|
| Summenformel | C10H20O2S |
| Durchschnittliche Molmasse | 204,33 g/mol |
| Monoisotopische Masse | 204,11840105 g/mol |
| SMILES | CC(C)CCCCCOC(=O)CS |
| InChIKey | RZBBHEJLECUBJT-UHFFFAOYSA-N |
| PubChem CID | 34306 |
| ChEMBL | CHEMBL1889775 |
| EC No. | 246-613-9 |
| DTXSID | DTXSID20274221 |
| Lokaler Name | Isooctylmercaptoacetat |
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 | 135 |
| Geruch | Faint fruity odor |
| Dichte | 0.9736 @ 25 °CDensity: 1.04 kg/l @ 20 °C0,97 g/cm3 |
| Color/Form | Clear, water-white liquidWater-white liquidColorless or pale yellow liquid |
| Siedepunkt | 125 °C @ 17 mm HgBP: 80-88 °C (6 kPa)96°C |
| Decomposition | When heated to decomposition it emits toxic fumes of sulfoxides. |
| Brechungsindex | Index of refraction: 1.4606 @ 21 °C1.4590 to 1.4640 |
| Physical Description | LiquidWater-white liquid with a mild fruity odor[Hawley] Colorless or pale yellow liquid[HSDB] Clear white liquid[Aldrich MSDS] |
| Other Experimental Properties | Acid number is less than 1 |
| Schmelzpunkt | <-50°C |
| Dampfdruck | 3.1Pa at 20℃ |
| Flammpunkt | 133°C |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | liquid |
| Löslichkeit | 10.6mg/L at 20℃ |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR WAVING OR STRAIGHTENING |
| InChI | InChI=1S/C10H20O2S/c1-9(2)6-4-3-5-7-12-10(11)8-13/h9,13H,3-8H2,1-2H3 |
| InChIKey | RZBBHEJLECUBJT-UHFFFAOYSA-N |
| SMILES | C(=O)(CS)OCCCCCC(C)C |
| LogP (Verteilungskoeffizient) | 3.68 at 20℃ |
| CAS Datenbank | 25103-09-7(CAS DataBase Reference) |
| EPA chemische Informationen | Acetic acid, mercapto-, isooctyl ester (25103-09-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (85.3%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (84.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (14.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H400 (84.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (51.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]H412 (15.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 258 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, mercapto-, isooctyl esterAcetic acid, 2-mercapto-, isooctyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-mercapto-, isooctyl 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: 04-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/1906Acetic acid, mercapto-, isooctyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | IMAP assessments - Alkyl mercaptoacetates (C8): Human health tier II assessment |
| Gefahrenübersicht | Causes hypotension in rats and rabbits (IV administration)Emergency treatment: Thioglycolates |
Anwendungen & Verwendung
Verwenden
Antioxidants, fungicides, oil additives, plasticizers, insecticides, stabilizers, polymerization modifiers, stabilizer in tin-sulfur compounds, stripping agent for polysulfide rubber.