HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Isopropyl-2-methylbutyrat
ISOPROPYL 2-METHYLBUTYRATE · ISOPROPYL 2-METHYLBUTANOATE · 2-Methylbutyric acid isopropyl ester · FEMA 3699 · FEMA 3699 USP/EP/BP · 2-propyl 2-methylbutanoate · ISOPROPYL METHYL-2-BUTYRATE · Isopropyl2-Methylbutyrate>propan-2-yl 2-methylbutanoate
Identifikatoren & physikalische Daten
| CAS No. | 66576-71-4 |
|---|---|
| Summenformel | C8H16O2 |
| Durchschnittliche Molmasse | 144,21 g/mol |
| Monoisotopische Masse | 144,11502975 g/mol |
| SMILES | CCC(C)C(=O)OC(C)C |
| InChIKey | DIRDKDDFAMNBNY-UHFFFAOYSA-N |
| PubChem CID | 522214 |
| ChEBI | CHEBI:179936 |
| EC No. | 266-411-4 |
| DTXSID | DTXSID3047550 |
| Lokaler Name | Isopropyl-2-methylbutyrat |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 108 |
| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701] |
| Duftstoffe | Fragrance Ingredient (Isopropyl 2-methylbutyrate) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.847-0.8550.851 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in watersoluble (in ethanol)691mg/L at 20℃ |
| Siedepunkt | 140.00 to 144.00 °C. @ 727.00 mm Hg140 °C140-144 °C727 mm Hg(lit.) |
| Brechungsindex | 1.395-1.399n20/D 1.397(lit.) |
| Physical Description | Liquidcolourless liquid |
| Dampfdruck | 6.802hPa at 25℃ |
| FEMA | 3699 | ISOPROPYL 2-METHYLBUTYRATE |
| Flammpunkt | 90 °F |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Geruch | at 100.00 %. fruity green ethereal dusty tutti frutti tropical coconut herbal |
| Geruchsart | fruity |
| Biologische Quelle | synthetic |
| JECFA Number | 210 |
| Hauptanwendungen | flavors and fragrances |
| InChI | 1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3 |
| InChIKey | DIRDKDDFAMNBNY-UHFFFAOYSA-N |
| SMILES | CCC(C)C(=O)OC(C)C |
| LogP (Verteilungskoeffizient) | 3.3 at 35℃ |
| EPA chemische Informationen | Isopropyl 2-methylbutyrate (66576-71-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1700 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Butanoic acid, 2-methyl-, 1-methylethyl esterButanoic acid, 2-methyl-, 1-methylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic acid, 2-methyl-, 1-methylethyl 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)REACH registered substance: Isopropyl 2-methylbutyrate (EC: 266-411-4)Butanoic acid, 2-methyl-, 1-methylethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (> 99.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3272 3/PG 3 |
| Zollcode | 29155090 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | 3.2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Occurrence
Reported found in Concord grape and strawberry fruit