acetyl acetaldehyde dimethyl acetal
3-ketobutyraldehyde dimethylacetal
Flavouring ingredient
  • BOC Sciences
    • BOC Sciences
      Best of Chemicals Supplier
      Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds.
      BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services.
      BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
      Email: Marketing
      US Email: Marketing
      Email: Sales
      US Email: Sales
      Voice: 1-631-485-4226
      Fax: 1-631-614-7828
      US Voice: 1-631-485-4226
      US Fax: 1-631-614-7828
      Get the App!
      5436-21-5 4,4-Dimethoxy-2-butanone
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
      Synerzine is a leading supplier of flavor and fragrance ingredients.
      Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust.
      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
      US Email: Customer Service
      US Email: Sales
      US Voice: (404) 524-6744
      US Fax: (404) 577-1651
      Products List: View
      W01800 3-ketoButyraldehyde dimethyl acetal
      Moving Your Chemistry Forward
      We continuously strive to advance our technology.
      With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping!
      Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis.
      US Email: Sales
      Email: Technical Support
      Voice: 1-800-423-8616
      Fax: 1- 888-520-1075
      D1157 1,1-Dimethoxy-3-butanone >90.0%(GC)
Synonyms   Articles   Notes   Search
CAS Number: 5436-21-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 226-605-1
Nikkaji Web: J150.136D
Beilstein Number: 1702372
MDL: MFCD00008789
CoE Number: 10029
XlogP3-AA: -0.30 (est)
Molecular Weight: 132.15924000
Formula: C6 H12 O3
NMR Predictor: Predict (works with chrome 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: 593  3-oxobutanal dimethyl acetal
DG SANTE Food Flavourings: 06.038  4,4-dimethoxybutan-2-one
FEMA Number: 3381 3-ketobutyraldehyde dimethylacetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 99.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.99300 to 0.99800 @  25.00 °C.
Pounds per Gallon - (est).: 8.263 to  8.304
Refractive Index: 1.41400 to 1.42400 @  20.00 °C.
Melting Point: -83.00 °C. @ 760.00 mm Hg
Boiling Point: 178.00 °C. @ 760.00 mm Hg
Boiling Point: 70.00 to  73.00 °C. @ 20.00 mm Hg
Vapor Pressure: 1.351000 mmHg @ 25.00 °C. (est)
Flash Point: 135.00 °F. TCC ( 57.22 °C. )
logP (o/w): -0.067 (est)
Soluble in:
 water, slightly
 water, 4.747e+005 mg/L @ 25 °C (est)
Insoluble in:
Similar Items: note
acetaldehyde dimethyl acetal
alpha-amyl cinnamaldehyde dimethyl acetal
para-anisaldehyde dimethyl acetal
benzaldehyde dimethyl acetal
butyraldehyde dimethyl acetal
cinnamaldehyde dimethyl acetal
citral dimethyl acetal
citronellal dimethyl acetal
citronellyl oxyacetaldehyde dimethyl acetal
cyclamen aldehyde dimethyl acetal
decanal dimethyl acetal
dodecanal dimethyl acetal
2-ethyl hexanal dimethyl acetal
heliotropyl dimethyl acetal
heptanal dimethyl acetal
hexanal dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(E)-2-hexen-1-al dimethyl acetal
hexoxyacetaldehyde dimethyl acetal
alpha-hexyl cinnamaldehyde dimethyl acetal
hydroxycitronellal dimethyl acetal
2-methyl undecanal dimethyl acetal
nonanal dimethyl acetal
isononanal dimethyl acetal
(Z)-6-nonen-1-al dimethyl acetal
2-nonyn-1-al dimethyl acetal
octanal dimethyl acetal
phenyl acetaldehyde dimethyl acetal
2-phenyl propionaldehyde dimethyl acetal
3-phenyl propionaldehyde dimethyl acetal
propionaldehyde dimethyl acetal
undecanal dimethyl acetal
valeraldehyde dimethyl acetal
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Type: ethereal
 ethereal  musty  nutty  alcoholic  bitter  
Odor Description:
at 0.10 % in dipropylene glycol. 
ethereal musty nutty alcoholic bitter
Odor and/or flavor descriptions from others (if found).
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
BOC Sciences
For experimental / research use only.
EMD Millipore
For experimental / research use only.
Acetoacetaldehyde-1,1-dimethyl acetal
Matrix Scientific
For experimental / research use only.
4,4-Dimethoxybutan-2-one, 90%
acetyl acetaldehyde dimethyl acetal
Penta International
Santa Cruz Biotechnology
For experimental / research use only.
Sigma-Aldrich: Aldrich
For experimental / research use only.
4 4-Dimethoxy-2-butanone technical grade, ≥90%
3-ketoButyraldehyde dimethyl acetal
For experimental / research use only.
1,1-Dimethoxy-3-butanone >90.0%(GC)
Synonyms   Articles   Notes   Search   Top
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, 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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
gavage-rat LD50  [sex: M] 6200 mg/kg
(EPA, 1971)

oral-rat LD50  6200 mg/kg
National Technical Information Service. Vol. OTS0534674

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: flavoring agents
Recommendation for acetyl acetaldehyde dimethyl acetal usage levels up to:
 not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (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: 6
Click here to view publication 6
 average usual ppmaverage maximum ppm
baked goods: -160.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -500.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -80.00000
fruit ices: -80.00000
gelatins / puddings: -80.00000
granulated sugar: --
gravies: -2000.00000
hard candy: -80.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -80.00000
meat products: -2000.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: -2000.00000
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -2000.00000
sugar substitutes: --
sweet sauces: --
Synonyms   Articles   Notes   Search   Top
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) related to: Flavouring Group Evaluation 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
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): 5436-21-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 228548
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1989
WGK Germany: 2
Chemidplus: 0005436215
Synonyms   Articles   Notes   Search   Top
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5436-21-5
Pubchem (cid): 228548
Pubchem (sid): 135263457
Synonyms   Articles   Notes   Search   Top
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): HMDB33851
FooDB: FDB012031
Export Tariff Code: 2914.50.5000
ChemSpider: View
FAO: 3-Oxobutanal dimethyl acetal
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
For Odor
2,5-dimethyl pyrazineFL/FR
 cyclohexyl acetateFL/FR
2-acetyl pyrroleFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
 hazelnut pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
2-ethyl pyrazineFL/FR
 filbert pyrazineFL/FR
5-methyl quinoxalineFL/FR
 nutty quinoxalineFL/FR
2,3,5,6-tetramethyl pyrazineFL/FR
2,3,5-trimethyl pyrazineFL/FR
 vinyl sulfurolFL/FR
For Flavor
No flavor group found for these
 acetaldehyde 1,3-octane diol acetalFL
(E)-aconitic acidFL
 cyclohexyl methyl pyrazineFL
2,5-diethyl thiazoleFL
2,5-dimethyl pyrazineFL/FR
 hazelnut pyrazineFL/FR
2,3,5-trimethyl pyrazineFL/FR
2-acetyl pyrroleFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-5-methyl furanFL/FR
 aconitic acidFL
2-ethyl pyrazineFL/FR
 filbert pyrazineFL/FR
5-methyl quinoxalineFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
2,3,5,6-tetramethyl pyrazineFL/FR
 vinyl sulfurolFL/FR
 cyclohexyl acetateFL/FR
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 apple green appleFL
 apple red appleFL
 berry jamFR
 berry mixed berryFL
 boxwood berryFR
 bramble arctic bramble blackberryFR
 brandy apricot brandyFL
 briar woodFR
 bubble gumFL
 cherry black cherryFL
 cherry maraschino cherryFL
 cherry wild cherryFL
 cloudberry bakeappleFL
 coconut tropical coconutFR
 currant black currantFL
 currant red currantFL
 davana oil replacerFR
 elder berryFL
 fruit dried fruit 
 fruit jam 
 fruit juicy fruitFR
 fruit punchFL
 fruit tropical fruitFL
 grape concord grapeFL
 grape white grapeFL
 iris blossomFR
 myrtle oil replacerFR
 orange bitter orange peelFL/FR
 passion blossomFR
 passion fruitFR
 peanut butterFL
 pear bartlett pearFL
 pear emperor pearFL
 pina coladaFL
 plum greengage plumFL
 plum jam 
 plum mirabelle plum 
 raspberry black raspberryFL
 raspberry green raspberry 
 raspberry jam 
 raspberry red raspberryFL
 rose wild rose 
 strawberry jam 
 tutti fruttiFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
 acetoacetaldehyde dimethyl acetal
 acetoacetaldehyde, 1- (dimethyl acetal)
 acetoacetaldehyde, 1-(dimethyl acetal)
 acetylacetaldehyde dimethyl acetal
 acetylacetaldehyde dimethylacetal
 acetylaldehyde dimethylacetal
3-oxobutanal dimethyl acetal
2-butanone, 4,4-dimethoxy-
3-ketobutyraldehyde dimethyl acetal
3-oxobutyraldehyde dimethyl acetal
beta-oxobutyraldehyde dimethyl acetal
3-ketobutyraldehyde dimethylacetal
3-oxobutyraldehyde dimethylacetal
3-ketobutyraldehyde DMA
4 4-dimethoxy-2-butanone tech. grade
4,4-dimethoxyl butan-2-one
 formyl acetone dimethyl acetal
Synonyms   Articles   Notes   Search   Top
Synonyms   Articles   Notes   Search   Top
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2021 Perflavory ™ Disclaimer Privacy Policy