2-Octanone
SIAL/02479 - analytical standard
Synonym: Hexyl methyl ketone
CAS Number: 111-13-7
Empirical Formula (Hill Notation): C8H16O
Molecular Weight: 128.21
EC Number: 203-837-1
MDL Number: MFCD00009540
Linear Formula: CH3(CH2)5COCH3
Product Type: Chemical
| application(s) | cleaning products cosmetics environmental flavors and fragrances food and beverages personal care |
| assay | ≥99.5% (GC) |
| bp | 173 °C (lit.) |
| density | 0.819 g/mL at 25 °C (lit.) |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C8H16O/c1-3-4-5-6-7-8( |
| InChI key | ZPVFWPFBNIEHGJ-UHFFFAOYSA |
| mp | −16 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CCCCCCC(C)=O |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable |
| Application: | 2-Octanone may be used as an analytical reference standard for the quantification of the analyte in sugar-cane spirits and rum samples and whey protein concentrate using chromatography based techniques. |
| General description: | 2-Octanone is a volatile compound reported to be found in blue cheese, acerola fruit and blue crab. |
| Recommended products: | Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial . |
| Symbol |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226 - H312 |
| Precautionary statements | P210 - P280 - P302 + P352 + P312 |
| Hazard Codes | Xn |
| Risk Statements | 21 |
| Safety Statements | 36/37 |
| RIDADR | UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all |
| WGK Germany | WGK 1 |
| Flash Point(F) | 132.8 °F - closed cup |
| Flash Point(C) | 56 °C - closed cup |
| Purity | ≥99.5% (GC) |
| bp | 173 °C (lit.) |
| mp | −16 °C (lit.) |
| Density | 0.819 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 41116107 |