W217506

Essigsäure-isobutylester

FCC, FG

• Synonym(e): Isobutylacetat
• Lineare Formel: CH₃COOCH₂CH(CH₃)₂
• CAS-Nummer: 110-19-0
• Molekulargewicht: 116.16
• FEMA-Nummer: 2175
• Beilstein: 1741909
• EG-Nummer: 203-745-1
• CoE-Nummer: 195
• MDL-Nummer: MFCD00008932
• UNSPSC-Code: 12164502
• PubChem Substanz-ID: 24900888
• Flavis-Nummer: 9.005
• NACRES: NA.21

Eigenschaften

• Biologische Quelle: synthetic
• Qualitätsniveau: 400
• Qualität: FG; Fragrance grade; Halal; Kosher
• Agentur: follows IFRA guidelines; meets purity specifications of JECFA
• Einhaltung gesetzlicher Vorschriften: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR 117; FDA 21 CFR 172.515
• Dampfdichte: >4 (vs air)
• Dampfdruck: 15 mmHg ( 20 °C)
• Assay: ≥98%
• Form: liquid
• Selbstzündungstemp.: 793 °F
• Expl.-Gr.: 10.5 %
• Brechungsindex: n20/D 1.39 (lit.)
• pH-Wert: 6.7 (20 °C, 5 g/L)
• bp: 115-117 °C (lit.)
• mp (Schmelzpunkt): −99 °C (lit.)
• Löslichkeit: 95% ethanol: soluble 1 mL/mL
• Dichte: 0.867 g/mL at 25 °C (lit.)
• Anwendung(en): flavors and fragrances
• Dokumentation: see Safety & Documentation for available documents
• Nahrungsmittelallergen: no known allergens
• Allergener Duftstoff: no known allergens
• Organoleptisch: apple; banana; fruity; ethereal; sweet
• SMILES String: CC(C)COC(C)=O
• InChI: 1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
• InChIKey: GJRQTCIYDGXPES-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

Isobutyl acetate, a medium chain ester, is a high-volume solvent, flavor and fragrance compound. It is the fruity ester formed during the fermentation of wine. Organoleptic threshold value of isobutyl acetate has been evaluated in Norwegian all-malt pilsener beer. Engineered biosynthesis of isobutyl acetate in Escherichia coli directly from glucose has been reported.

Anwendung

Isobutyl acetate is suitable ester aroma compound used in the estimation of esters which contribute to the fruity aroma in sweet wines.

Biochem./physiol. Wirkung

Taste at 10 ppm

Sonstige Hinweise

Natural occurrence: Apple, banana, cocoa, fig, grape, grape brandy, pear, pineapple, sherry, strawberry and wine.

Sicherheitshinweise

• Piktogramme: GHS02,GHS07
• Signalwort: Danger
• H-Sätze: H225 - H336
• P-Sätze: P210 - P233 - P240 - P241 - P242 - P243
• Gefahreneinstufungen: Flam. Liq. 2 - STOT SE 3
• Zielorgane: Central nervous system
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 1
• Flammpunkt (°F): 71.6 °F - Pensky-Martens closed cup
• Flammpunkt (°C): 22 °C - Pensky-Martens closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter