HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 82321Erstellt: 23. Oktober 2026
Butylmercaptoacetat
Ai3-63085 · Nsc 65453 · Einecs 233-156-5 · butylthioglycolate · butylmercaptoacetate · N-BUTYL THIOGLYCOLATE · Butyl 2-mercaptoacetate · N-BUTYL MERCAPTOACETATE
https://huagongshe.com/de/chemical/82321
Identifikatoren & physikalische Daten
| CAS No. | 10047-28-6 |
|---|
| Summenformel | C6H12O2S |
|---|
| Durchschnittliche Molmasse | 148,23 g/mol |
|---|
| Monoisotopische Masse | 148,05580062 g/mol |
|---|
| SMILES | CCCCOC(=O)CS |
|---|
| InChIKey | SKGVGRLWZVRZDC-UHFFFAOYSA-N |
|---|
| PubChem CID | 82321 |
|---|
| EC No. | 233-156-5 |
|---|
| DTXSID | DTXSID4064929 |
|---|
| Lokaler Name | Butylmercaptoacetat |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|
| Polarare Oberfläche (TPSA) | 27,3 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 5 |
|---|
| Schwere Atome | 9 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 83,1 |
|---|
| Kosmetika | Cosmetic ingredients (Butyl Thioglycolate) -> CIR (Cosmetic Ingredient Review)Hair waving or straightening |
|---|
| Siedepunkt | 194°C |
|---|
| Dichte | 1,03 g/cm3 |
|---|
| Brechungsindex | n20/D 1.455(lit.) |
|---|
| Flammpunkt | 65°C |
|---|
| Lagerbedingungen | 2-8°C, stored under nitrogen |
|---|
| pKa (Säurekonstante) | 7.97±0.10(Predicted) |
|---|
| Aggregatzustand | clear liquid |
|---|
| Farbe | Colorless to Almost colorless |
|---|
| Kosmetik-Inhaltsstoffe Funktionen | HAIR WAVING OR STRAIGHTENING |
|---|
| LogP (Verteilungskoeffizient) | 2.250 (est) |
|---|
| CAS Datenbank | 10047-28-6(CAS DataBase Reference) |
|---|
| EPA chemische Informationen | Acetic acid, mercapto-, butyl ester (10047-28-6) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 3 (97.6%) |
|---|
| Toxizitätsübersicht | Based on the available data, the CIR Expert Panel concluded that ... Butyl Thioglycolate is safe for use in hair straighteners, permanent waves, tonics, dressings, and so forth, wave sets, other non-coloring hair products, and hair dyes and colors, as described in this safety assessment, at concentrations up to 15.2% (as Thioglycolic Acid). Hairdressers should avoid skin contact and minimize consumer skin exposure.Safe for use in cosmetics, with qualifications |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
| UN-Transportnummer | 2810 |
|---|
| Zollcode | 2930.90.9250 |
|---|
| R-Sätze (R) | 20/21/22-23/24/25 |
|---|
| Gefahrensymbole | T |
|---|
| Sicherheitshinweise (S) | 23-36/37/39-45-27 |
|---|
| Gefahrenklasse | 6.1(b) |
|---|
| Verpackungsgruppe | III |
|---|
