513-86-0
Product Name:
Acetoin
Formula:
C4H8O2
Synonyms:
3-Hydroxy-2-butanone;Acetyl methyl carbinol, Acetoin;Acetylmethylcarbinol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Acetyl methyl carbinol appears as a light-yellow colored liquid that can form a crystalline solid when it dimerizes. Slightly denser than water. Hence sinks in water. Used to make other chemicals. |
|---|---|
| Color/Form | Slightly yellow liquid or crystals |
| Odor | Buttery odor |
| Taste | FATTY CREAMY "TUB" BUTTER TASTE |
| Boiling Point | 148 °C at 760 mm Hg |
| Melting Point | 15 °C |
| Flash Point | 41 °C |
| Solubility | Sparingly soluble in ether, petroleum ether |
| Density | 0.9972 g/cu cm at 17 °C |
| Vapor Pressure | 2.69 [mmHg] |
| LogP | log Kow = -0.36 /Estimated/ |
| Henry's Law Constant | Henry's Law constant = 1.0X10-5 atm-cu m/mol at 25 °C /Estimated/ |
| Stability/Shelf Life | Forms a solid dimer C8H16O4 on standing or on treatment with granulated zinc. The dimer is easily converted back to the monomer by melting, distilling, or dissolving. |
| Optical Rotation | OPTICALLY ACTIVE COMPD; OPTICAL ROTATION: -39.4 DEG (PURE) AND -105 DEG (AQ SOLN) AT 20 °C |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Refractive Index | 1.417-1.420 |
| Kovats Retention Index | 678 662 680 667 684 667 667 687 681 680 689 689 661 680 682 692 693 710 714 700 687 673 702 701 700 677.4 690 676 700 682 666 680 705 705 674 703 682 674 690 674 684 686 674 672 680 674 673 670 693 715.2 |
| Other Experimental Properties | Reduces Fehling's solution forming acetic acid. |
| Chemical Classes | Other Uses -> Food Additives |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H226:Flammable liquids H318:Serious eye damage/eye irritation |
| 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. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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 | 88.11 g/mol |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 88.052429494 g/mol |
| Monoisotopic Mass | 88.052429494 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 58.6 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Acetyl methyl carbinol appears as a light-yellow colored liquid that can form a crystalline solid when it dimerizes. Slightly denser than water. Hence sinks in water. Used to make other chemicals.
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