431-03-8
Product Name:
2,3-Butanedione
Formula:
C4H6O2
Synonyms:
2,3-Butanedione, 2,3-Butadione, Dimethyldiketon, Dimethylglyoxal;Biacetyl;Diacetyl
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Diacetyl appears as a clear colorless liquid with a strong chlorine-like odor. Flash point 80 °F. Less dense than water. Vapors heavier than air. |
|---|---|
| Color/Form | Greenish-yellow liquid |
| Odor | Quinone odor; vapors have a chlorine-like odor |
| Taste | Taste characteristics at 50 ppm: sweet, buttery, creamy and milky |
| Boiling Point | 190 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 27.7 °F (NTP, 1992) |
| Flash Point | 80 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
| Density | 0.99 at 59 °F (NTP, 1992) - Less dense than water; will float |
| Vapor Density | 3 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 56.8 [mmHg] |
| LogP | log Kow = -1.34 |
| Henry's Law Constant | Henry's Law constant = 1.33X10-5 atm-cu m/mol at 25 °C |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Autoignition Temperature | 689 °F (NTP, 1992) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Odor Threshold | 8.6 ppb. |
| Refractive Index | Index of refraction: 1.3951 at 20 °C. |
| Kovats Retention Index | 558 558 558 560 604 586 561 561 572 558 560 613 619 555 550 565 564 613 594 575 575 569.2 578 578 603 562 625 560 563 560 566 569 558 560 558 604 568 563 555 558 563 575 561 570 619 605 565 575.3 582.2 |
| Other Experimental Properties | Enthalpy of formation (liq) = -87.44 kcal/mol |
| Chemical Classes | Other Classes -> Aliphatic Ketones, Other |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H302:Acute toxicity,oral H315:Skin corrosion/irritation H317:Sensitisation, Skin H318:Serious eye damage/eye irritation H331:Acute toxicity,inhalation H373:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P314:Get medical advice/attention if you feel unwell. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. 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 | 86.09 g/mol |
|---|---|
| XLogP3 | -1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 86.036779430 g/mol |
| Monoisotopic Mass | 86.036779430 g/mol |
| Topological Polar Surface Area | 34.1 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 71.5 |
| 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
Diacetyl appears as a clear colorless liquid with a strong chlorine-like odor. Flash point 80 °F. Less dense than water. Vapors heavier than air.