96-22-0
Product Name:
3-Pentanone
Formula:
C5H10O
Synonyms:
3-Pentanone, Ethyl ketone;Diethyl ketone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Diethyl ketone appears as a clear colorless liquid with an acetone-like odor. Flash point 55 °F. Less dense than water. Vapors heavier than air. |
|---|---|
| Color/Form | Colorless, mobile liquid |
| Odor | Acetone odor |
| Boiling Point | 216 °F at 760 mmHg (USCG, 1999) |
| Melting Point | -44 °F (USCG, 1999) |
| Flash Point | 55 °F (USCG, 1999) |
| Solubility | 5 % (NIOSH, 2023) |
| Density | 0.8159 at 66.2 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Density | 3.0 (Air = 1) |
| Vapor Pressure | 25.85 mmHg (USCG, 1999) |
| LogP | log Kow = 0.99 |
| Henry's Law Constant | Henry's Law constant = 5.0X10-5 atm-cu m/mol at 25 °C |
| Autoignition Temperature | 842 °F (USCG, 1999) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Viscosity | 0.444 mPa s at 25 °C |
| Heat of Combustion | 3100.2 kJ/mole at 25 °C /liquid/ |
| Heat of Vaporization | 38.52 kJ/mole at 25 °C |
| Surface Tension | 24.7 mN/m at 25 °C |
| Ionization Potential | 9.32 eV |
| Odor Threshold | Odor Threshold Low: 0.85 [mmHg] Odor Threshold High: 9.4 [mmHg] Detection odor threshold from AIHA (mean = 2.8 ppm) |
| Refractive Index | Index of refraction: 1.3905 at 25 °C/D |
| Kovats Retention Index | 651 651 659 670 651 676.4 675.42 675.52 675.75 675.84 676.91 677.74 675 676 676 677 681 682 682 682 672 697 651 676 675 677 671 675 681 675 673.3 669 669 675 675 669.92 676 678.2 701 678 678 683 681 669 666 669 683 643 670 674 |
| Other Experimental Properties | Heat capacity: 2.216 J/g-K |
| Chemical Classes | Solvents -> Ketones (<C12) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H336:Specific target organ toxicity,single exposure; Narcotic effects |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 86.13 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 86.073164938 g/mol |
| Monoisotopic Mass | 86.073164938 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 41.9 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Diethyl ketone appears as a clear colorless liquid with an acetone-like odor. Flash point 55 °F. Less dense than water. Vapors heavier than air.