520-45-6
Product Name:
Dehydroacetic acid
Formula:
C8H8O4
Synonyms:
2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid δ-lactone;3-Acetyl-3,4-dihydro-6-methyl-2H-pyran-2,4-dione;Dehydroacetic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dry Powder |
|---|---|
| Color/Form | NEEDLES FROM WATER, RHOMBIC NEEDLES OR PRISMS FROM ALCOHOL |
| Odor | ODORLESS |
| Taste | TASTELESS |
| Boiling Point | 269.9 °C @ 760 MM HG |
| Melting Point | 109-111 °C (SUBLIMES) |
| Flash Point | 157 °C; 315 °F (OPEN CUP) |
| Solubility | (WT/WT) 22% IN ACETONE, 18% IN BENZENE, 5% IN METHANOL, 3% IN USP ETHANOL, 3% IN CARBON TETRACHLORIDE, 5% IN ETHER, 0.7% IN N-HEPTANE, LESS THAN 0.1% IN GLYCEROL, 1.6% IN OLIVE OIL, 1.7% IN PROPYLENE GLYCOL, LESS THAN 0.1% IN WATER AT 25 °C |
| Vapor Density | 5.8 (AIR= 1) |
| Vapor Pressure | 1.9 MM HG AT 100 °C |
| Stability/Shelf Life | MODERATELY VOLATILE IN STEAM |
| Autoignition Temperature | 366 °C (690 °F) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Heat of Vaporization | 14,663.8 gcal/gmol |
| Kovats Retention Index | 1458.1 |
| Other Experimental Properties | HIGHLY REACTIVE |
| Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 168.15 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 168.04225873 g/mol |
| Monoisotopic Mass | 168.04225873 g/mol |
| Topological Polar Surface Area | 60.4 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 287 |
| 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
Dehydroacetic acid is a pyran-2,4-dione substituted at position 3 by an acetyl group and at position 6 by a methyl group. A fungicide and bactericide it is used primarily in processed fruit and vegetables. It has a role as a fungicide, an antibacterial agent and a plasticiser. It is a pyran-2,4-dione and a ketone.