600-14-6
Product Name:
2,3-Pentanedione
Formula:
C5H8O2
Synonyms:
2,3-Pentanedione;Acetylpropionyl
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Yellow liquid |
| Odor | Somewhat sweet odor similar to quinone ... Detection: 20 ppb. Aroma characteristics at 1.0%: buttery diacytl-like, fermented dairy and creamy, popcorn buttery |
| Taste | Penetrating buttery taste on dilution...Taste characteristics at 1 to 5 ppm: sweet buttery, creamy, cheesy, slightly toasted dairy, with a rich baked goods nuance and good mouth feel |
| Boiling Point | 109.9 °C |
| Melting Point | -52 °C |
| Flash Point | 19 °C (66 °F) - open cup |
| Solubility | In water, 6.67X10+4 at 15 °C |
| Density | 0.979-0.985 |
| Vapor Pressure | 21.4 [mmHg] |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Odor Threshold | Odor Threshold Low: 0.00002 [mmHg] Odor threshold from Reference #1 |
| Refractive Index | Index of refraction: 1.4014 at 19 °C |
| Kovats Retention Index | 660 666 669 681 665 662 664 650 668 662 674 675 667 660 675 665 665 681 668.7 678.1 680 668 672 664 674 662 664 673 674 651 652 673 674 681 663 681 673 676 681 678.1 675.8 |
| Other Experimental Properties | Direct photolysis rate constant = 3.6X10-5 cu cm/molecule-sec |
| Chemical Classes | Other Classes -> Aliphatic Ketones, Other |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H317:Sensitisation, Skin H373:Specific target organ toxicity, repeated exposure |
| 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. P280:Wear protective gloves/protective clothing/eye protection/face protection. P314:Get medical advice/attention if you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
COMPUTED DESCRIPTORS
| Molecular Weight | 100.12 g/mol |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 100.052429494 g/mol |
| Monoisotopic Mass | 100.052429494 g/mol |
| Topological Polar Surface Area | 34.1 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 94.3 |
| 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
Pentane-2,3-dione is an alpha-diketone that is pentane substituted at the 2- and 3-positions by oxo groups. It has a role as a flavouring agent. It is an alpha-diketone and a methyl ketone. It derives from a hydride of a pentane.