HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79543Erstellt: 26. Oktober 2026
2-Butoxyethylbenzoat
2-butoxyethyl benzoate · 2-butoxy-ethanobenzoate · ISOBUTYL GLYCOL BENZOATE · 2-Butoxyethanol benzoate · 2-ISOBUTOXYETHYL BENZOATE · Ethyl 2-isobutoxybenzoate · ISOBUTYL CELLOSOLVE BENZOATE · Ethanol, 2-butoxy-,1-benzoate
https://huagongshe.com/de/chemical/79543
Identifikatoren & physikalische Daten
| CAS No. | 5451-76-3 |
|---|
| Summenformel | C13H18O3 |
|---|
| Durchschnittliche Molmasse | 222,28 g/mol |
|---|
| Monoisotopische Masse | 222,12559443 g/mol |
|---|
| SMILES | CCCCOCCOC(=O)c1ccccc1 |
|---|
| InChIKey | NMBQBIACXMPEQB-UHFFFAOYSA-N |
|---|
| PubChem CID | 79543 |
|---|
| EC No. | 226-685-8 |
|---|
| DTXSID | DTXSID50863546 |
|---|
| Lokaler Name | 2-Butoxyethylbenzoat |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|
| Polarare Oberfläche (TPSA) | 35,5 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 8 |
|---|
| Schwere Atome | 16 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 186 |
|---|
| Physical Description | Liquid |
|---|
| Siedepunkt | 156.5-157.0 °C(Press: 14.5 Torr) |
|---|
| Dichte | 1.0277 g/cm3(Temp: 25 °C) |
|---|
| Dampfdruck | 0.028Pa at 20℃ |
|---|
| Löslichkeit | 106mg/L at 20℃ |
|---|
| LogP (Verteilungskoeffizient) | 3.77 at 30℃ |
|---|
| EPA chemische Informationen | Ethanol, 2-butoxy-, benzoate (5451-76-3) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (96.3%): Harmful if swallowed [Warning Acute toxicity, oral]H411 (95.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 109 reports by companies from 5 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 | Ethanol, 2-butoxy-, 1-benzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-butoxy-, 1-benzoate 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: 14-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23065 |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (96.3%)Aquatic Chronic 2 (95.4%) |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
