94823

Isobutyl acetate

analytical standard

• Synonym(s): Acetic acid isobutyl ester
• Linear Formula: CH₃COOCH₂CH(CH₃)₂
• CAS Number: 110-19-0
• Molecular Weight: 116.16
• UNSPSC Code: 85151701
• NACRES: NA.24
• PubChem Substance ID: 329770391
• EC Number: 203-745-1
• Beilstein/REAXYS Number: 1741909
• MDL number: MFCD00008932

Properties

• InChI key: GJRQTCIYDGXPES-UHFFFAOYSA-N
• InChI: 1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
• SMILES string: CC(C)COC(C)=O
• grade: analytical standard
• vapor density: >4 (vs air)
• vapor pressure: 15 mmHg ( 20 °C)
• assay: >99.8% (GC)
• autoignition temp.: 793 °F
• shelf life: limited shelf life, expiry date on the label
• expl. lim.: 10.5 %
• technique(s): HPLC: suitable, gas chromatography (GC): suitable
• refractive index: n20/D 1.39 (lit.), n20/D 1.390
• bp: 115-117 °C (lit.)
• mp: −99 °C (lit.)
• density: 0.867 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; environmental; flavors and fragrances; food and beverages; personal care
• format: neat
• Quality Level: 100

Description

General description

Isobutyl acetate is a chemical compound, commonly used as a solvent and flavoring agent in food products.[1]

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Isobutyl acetate may be used as a reference standard for the determination of isobutyl acetate in dry and sweet white wines using headspace solid-phase microextraction followed by high resolution gas chromatography technique (HS-SPME-HRGC).
Isobutyl acetate may be used as an analytical reference standard for the quantification of the analyte in wine samples,[2] aqueous essence and fresh fruit puree of musk melon [3] using different chromatography techniques.

Isobutyl acetate may be used as a reference standard for the determination of isobutyl acetate in dry and sweet white wines using headspace solid-phase microextraction followed by high resolution gas chromatography technique (HS-SPME-HRGC).[4]

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H336
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk: WGK 1
• flash_point_f: 71.6 °F - Pensky-Martens closed cup
• flash_point_c: 22 °C - Pensky-Martens closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter