Isobutyl acetate
SIAL/94823 - analytical standard
Synonym: Acetic acid isobutyl ester
CAS Number: 110-19-0
Empirical Formula (Hill Notation): C6H12O2
Molecular Weight: 116.16
EC Number: 203-745-1
MDL Number: MFCD00008932
Linear Formula: CH3COOCH2CH(CH3)2
Product Type: Chemical
| application(s) | cleaning products cosmetics environmental flavors and fragrances food and beverages personal care |
| assay | >99.8% (GC) |
| autoignition temp. | 793 °F |
| bp | 115-117 °C (lit.) |
| density | 0.867 g/mL at 25 °C (lit.) |
| expl. lim. | 10.5 % |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C6H12O2/c1-5(2)4-8-6(3 |
| InChI key | GJRQTCIYDGXPES-UHFFFAOYSA |
| mp | −99 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CC(C)COC(C)=O |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable | |
| vapor density | >4 (vs air) |
| vapor pressure | 15 mmHg ( 20 °C) |
| Application: | 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, aqueous essence and fresh fruit puree of musk melon using different chromatography techniques. |
| Application: | 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). |
| Application: | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
| General description: | Isobutyl acetate is a chemical compound, commonly used as a solvent and flavoring agent in food products. |
| Symbol |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225 - H336 |
| Precautionary statements | P210 - P233 - P240 - P241 - P242 - P243 |
| Hazard Codes | F |
| Risk Statements | 11-66-67 |
| Safety Statements | 16-23-25-29-33 |
| RIDADR | UN1213 - class 3 - PG 2 - Isobutyl acetate |
| WGK Germany | WGK 1 |
| Flash Point(F) | 71.6 °F - Pensky-Martens cl |
| Flash Point(C) | 22 °C - Pensky-Martens clos |
| Purity | >99.8% (GC) |
| bp | 115-117 °C (lit.) |
| mp | −99 °C (lit.) |
| Density | 0.867 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 85151701 |