EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

dehydroacetic acid
3-acetyl-6-methyl-2,4-pyrandione

Supplier Sponsors

Name:3-acetyl-2-hydroxy-6-methylpyran-4-one
CAS Number: 520-45-6Picture of molecule3D/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
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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:
Odor Description:odorless
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.
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
NLM Hazardous Substances Data Bank:Search
Cancer Citations:Search
Toxicology Citations:Search
Carcinogenic Potency Database:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity: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 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
Haz-Map:View
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry: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-
 
 
Notes:
Fungicide used against moulds on fresh and dried fruit. Now superseded
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