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

ethyl 2,4-dioxohexanoate
hexanoic acid, 2,4-dioxo, ethyl ester

Supplier Sponsors

Name:ethyl 2,4-dioxohexanoate
CAS Number: 13246-52-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:236-228-4
FDA UNII: 9064NS087D
Nikkaji Web:J213.776C
CoE Number:11903
XlogP3-AA:0.70 (est)
Molecular Weight:172.18044000
Formula:C8 H12 O4
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
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
JECFA Food Flavoring:603 ethyl 2,4-dioxohexanoate
DG SANTE Food Flavourings:09.514 ethyl 2,4-dioxohexanoate
FEMA Number:3278 ethyl 2,4-dioxohexanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):13246-52-1 ; ETHYL 2,4-DIOXOHEXANOATE
 
Physical Properties:
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.10300 to 1.10900 @ 25.00 °C.
Pounds per Gallon - (est).: 9.178 to 9.228
Refractive Index:1.47700 to 1.48200 @ 20.00 °C.
Boiling Point: 100.00 to 105.00 °C. @ 6.00 mm Hg
Vapor Pressure:0.055000 mmHg @ 25.00 °C. (est)
Flash Point: 203.00 °F. TCC ( 95.00 °C. )
logP (o/w): 0.399 (est)
Soluble in:
 water, 4.662e+005 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Ethyl 2,4-dioxohexanoate
Santa Cruz Biotechnology
For experimental / research use only.
Ethyl 2,4-dioxohexanoate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
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:
gavage-rat LD50 [sex: M,F] 6450 mg/kg
(Wolven & Levenstein, 1969)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for ethyl 2,4-dioxohexanoate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 5
Click here to view publication 5
 average usual ppmaverage maximum ppm
baked goods: -120.00000
beverages(nonalcoholic): -15.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -120.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -30.00000
meat products: --
milk products: -10.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):13246-52-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61590
National Institute of Allergy and Infectious Diseases:Data
ethyl 2,4-dioxohexanoate
Chemidplus:0013246521
 
References:
 ethyl 2,4-dioxohexanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13246-52-1
Pubchem (cid):61590
Pubchem (sid):135019042
 
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
HMDB (The Human Metabolome Database):HMDB34851
FooDB:FDB013417
ChemSpider:View
FAO:Ethyl 2,4-dioxohexanoate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2,4-dioxohexanoic acid ethyl ester
2,4-dioxohexanoic acid, ethyl ester
 ethyl 2,4-diketocaproate
 ethyl beta-propionyl pyruvate
 ethyl propionyl pyruvate
 hexanoic acid, 2,4-dioxo-, ethyl ester
 hexanoic acid, 2,4-dioxo, ethyl ester
 
 
Notes:
Flavouring ingredient
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