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. |
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 |