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3-acetyl-6-methyl-2,4-pyrandione
Notes:
Fungicide used against moulds on fresh and dried fruit. Now superseded
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| CAS Number: | 520-45-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 208-293-9 | |
| FDA UNII: | 2KAG279R6R | |
| Beilstein Number: | 0006129 | |
| MDL: | MFCD00066709 | |
| XlogP3-AA: | 0.80 (est) | |
| Molecular Weight: | 168.14856000 | |
| Formula: | C8 H8 O4 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: preservative for cut or peeled squash
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| FDA Mainterm (SATF): | 520-45-6 ; DEHYDROACETIC ACID |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart B--Food Preservatives Sec. 172.130 Dehydroacetic acid. FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS Subpart B--Substances for Use Only as Components of Adhesives Sec. 175.105 Adhesives. | |
Physical Properties:
| Appearance: | white powder (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 108.00 to 109.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 270.00 °C. @ 760.00 mm Hg |
| Flash Point: | 315.00 °F. TCC ( 157.22 °C. ) |
| logP (o/w): | 0.221 (est) |
| Soluble in: | |
| water, 690 mg/L @ 25 °C (exp) | |
Organoleptic Properties:
| Taste Description: | faint acid |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
preservatives |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Dehydroacetic acid ≥98%
Odor: characteristic Use: Dehydroacetic acid is a pyrone derivative used mostly as a fungicide and bactericide. |
| Connect Chemicals |
| Dehydroacetic acid (DHA)
Odor: characteristic Use: Dehydroacetic acid is an organic compound, pyrone derivative with a wide variety of different applications in many important key industries. Thanks to its preserving and stabilizing qualities, Dehydroacetic acid, main application is in the cosmetic and personal care industry, as well as food industry, according to local regulation. The sodium salt, sodium dehydroacetate, is often used in place of dehydroacetic acid because of its greater solubility in water. |
| ECSA Chemicals |
| DEHYDROACETIC ACID AND BENZYL ALCOHOL |
| ECSA TRADE THE MOST UPDATED FINANCIAL PUBLICATION ON THE WORLD OF CHEMISTRY |
| ECSA Chemicals |
| DEHYDROACETIC ACID |
| EMD Millipore |
| For experimental / research use only. |
| Dehydroacetic Acid |
| Penta International |
| DEHYDROACETIC ACID |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Dehydroacetic Acid |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Dehydroacetic acid ≥98.0% (T) |
| TCI AMERICA |
| For experimental / research use only. |
| Dehydroacetic Acid >98.0%(GC)(T) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| R 02 - Risk of explosion by shock, friction, fire or other sources of ignition. | |
|
R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 500 mg/kg World Review of Pest Control. Vol. 9, Pg. 119, 1970. oral-mouse LD50 1330 mg/kg Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. Vol. 12, Pg. 520, 1971. intraperitoneal-mouse LD50 1186 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 98, 1950. | |
| Dermal Toxicity: | |
|
skin-rabbit LDLo 5000 mg/kg Journal of the American College of Toxicology. Vol. 4(3), Pg. 123, 1985. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | preservative for cut or peeled squash | ||
| Recommendation for dehydroacetic acid usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for dehydroacetic acid flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| Carcinogenic Potency Database: | Search |
| EPA Substance Registry Services (TSCA): | 520-45-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 10623 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 1 |
| 3-acetyl-2-hydroxy-6-methylpyran-4-one | |
| Chemidplus: | 0000520456 |
| RTECS: | UP8050000 for cas# 520-45-6 |
References:
| 3-acetyl-2-hydroxy-6-methylpyran-4-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 520-45-6 |
| Pubchem (cid): | 10623 |
| Pubchem (sid): | 134976845 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| FDA Indirect Additives used in Food Contact Substances: | View |
| HMDB (The Human Metabolome Database): | HMDB33129 |
| FooDB: | FDB011130 |
| Export Tariff Code: | 2932.99.7000 |
| FDA Listing of Food Additive Status: | View |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| preservatives |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 3- | acetyl-2-hydroxy-6-methyl-4H-pyran-4-one |
| 3- | acetyl-2-hydroxy-6-methylpyran-4-one |
| 3- | acetyl-4-hydroxy-6-methyl-2H-pyran-2-one |
| 2- | acetyl-5-hydroxy-3-oxo-4-hexenoic acid delta-lactone |
| 2- | acetyl-5-hydroxy-3-oxo-4-hexenoic acid, d-lactone |
| 3- | acetyl-6-methyl-1,2-pyran-2,4(3H)-dione |
| 3- | acetyl-6-methyl-2,4-pyrandione |
| 3- | acetyl-6-methyl-2H-pyran-2,4(3H)-dione |
| biocide 470F | |
| dehydracetic acid | |
| DHA | |
| 4- | hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, d-lactone |
| methyl acetopyronone | |
| methylacetopyronone | |
| 2H- | pyran-2-one, 3-acetyl-4-hydroxy-6-methyl- |
| 2H- | pyran-2,4(3H)-dione, 3-acetyl-6-methyl- |