3-Pentanone
SIGALD/127604 - ReagentPlus®, ≥99.0% (GC)
Synonym: Diethyl ketone
CAS Number: 96-22-0
Empirical Formula (Hill Notation): C5H10O
Molecular Weight: 86.13
EC Number: 202-490-3
MDL Number: MFCD00009320
Linear Formula: CH3CH2COCH2CH3
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 127604-100ML.
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 127604-500ML.
| assay | ≥99.0% (GC) |
| autoignition temp. | 845 °F |
| bp | 101.5 °C (lit.) |
| density | 0.813 g/mL at 25 °C (lit.) |
| expl. lim. | 0.34-6.3 % |
| form | liquid |
| impurities | ≤0.2% water (coulometr.) |
| InChI | 1S/C5H10O/c1-3-5(6)4-2/h3 |
| InChI key | FDPIMTJIUBPUKL-UHFFFAOYSA |
| mp | −42 °C (lit.) |
| pH | 6.2 (20 °C, 50 g/L) |
| product line | ReagentPlus® |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CCC(=O)CC |
| solubility | water: slightly soluble |
| suitability | complies for Proton NMR spectrum |
| vapor density | 3 (vs air) |
| vapor pressure | 20 mmHg ( 28 °C) |
| 28.1 mmHg ( 20 °C) |
| Application: | 3-Pentanone may be used to evaluate excess molar volumes of its binary mixtures with 1-chloroalkanes at 298.15K and atmospheric pressure. |
| General description: | 3-Pentanone is a 3-alkanone. It undergoes deprotonation on reaction with lithium diisopropylamide (LDA) in THF (solvent) to afford E enolate while the same reaction in THF/HMPT (HMPT = hexamethylphosphoric triamide, THF = tetrahydrofuran) solvent system affords Z enolate. It is widely used as a tracer for planar laser-induced fluorescence (PLIF) studies. Its electron-diffraction patterns and fluorescence quantum yields have been evaluated. 3-Pentanone is a diethyl ketone, which can be obtained as a major product of the condensation of propanol over ceria-zirconia mixed oxides catalyst, CexZr1-xO2. |
| Legal Information: | ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany |
| Packaging: | 100, 500 mL in glass bottle |
| Packaging: | 18, 20 L in steel drum |
| Packaging: | 4 L in glass bottle |
| Symbol |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225 - H319 - H335 - H336 |
| Precautionary statements | P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338 |
| Hazard Codes | F,Xi |
| Risk Statements | 11-37-66-67 |
| Safety Statements | 9-16-25-33 |
| RIDADR | UN1156 - class 3 - PG 2 - Diethyl ketone |
| WGK Germany | WGK 1 |
| Flash Point(F) | 44.6 °F |
| Flash Point(C) | 7 °C |
| Supplemental Hazard Statements | EUH066 |
| Purity | ≥99.0% (GC) |
| bp | 101.5 °C (lit.) |
| mp | −42 °C (lit.) |
| Density | 0.813 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352115 |