benzyl acetoacetate
benzyl 3-oxobutyrate
  • Apiscent Labs
    • Apiscent Labs, LLC
      Delivery of Quality
      Custom manufacturer and international supplier of fine ingredients.
      We believe inspired chemistry enriches lives. That's why our team is guided by a mission to provide fine ingredients to the worldwide pharmaceutical, flavor and fragrance markets with a primary focus on the manufacturing of value-added, research-based molecules. We're innovative problem solvers committed to excellence at every phase. Our work builds the foundation for our clients' continued success.
      Email: Info
      Email: Carl Sheeley
      Email: Customer Service
      Voice: +1 (414) 744 3993
      Fax: +1 (414) 744 7111
      Benzyl Acetoacetate
  • CTC Organics
    • CTC Organics
      For More Than 40 Year
      Your source for rare aroma chemicals for the flavor and fragrance industy.
      “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman.
      US Email: Customer Service
      US Voice: (404) 524-6744
      US Fax: (404) 577-1651
      W2226 benzyl acetoacetate
  • 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
      02-17800 BENZYL ACETOACETATE, Kosher
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benzyl 3-oxobutanoate (Click)
CAS Number: 5396-89-4
ECHA EINECS - REACH Pre-Reg: 226-416-4
Nikkaji Web: J103.932F
Beilstein Number: 2049615
MDL: MFCD00008785
CoE Number: 244
XlogP3: 1.80 (est)
Molecular Weight: 192.21424000
Formula: C11 H12 O3
BioActivity Summary: listing
NMR Predictor: Predict
Category: flavor and fragrance 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
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 848  benzyl acetoacetate
Flavis Number: 09.406 (Old)
DG SANTE Food Flavourings: 09.406  benzyl 3-oxobutyrate
FEMA Number: 2136  benzyl acetoacetate
FDA Regulation:
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless clear oily liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.10900 to 1.11600 @  25.00 °C.
Pounds per Gallon - (est).: 9.228 to  9.286
Refractive Index: 1.50900 to 1.51500 @  20.00 °C.
Melting Point: 162.00 to  164.00 °C. @ 16.00 mm Hg
Boiling Point: 156.00 to  159.00 °C. @ 10.00 mm Hg
Boiling Point: 249.00 °C. @ 760.00 mm Hg
Acid Value: 3.00 max. KOH/g
Vapor Pressure: 0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 1.599 (est)
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Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
 sweet  fruity  banana  floral  fruity  
Odor Description:
at 100.00 %. 
sweet benzyl propionate and acetate floral fruity
Substantivity: 24 Hour(s)
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Apiscent Labs
Benzyl Acetoacetate
CTC Organics
benzyl acetoacetate
Inoue Perfumery
benzyl acetoacetate
Penta International
Sigma-Aldrich: Aldrich
For experimental / research use only.
Benzyl acetoacetate ≥96% (GC)
produced by Wacker
Sigma-Aldrich: Aldrich
For experimental / research use only.
Benzyl acetoacetate 97%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Benzyl acetoacetate Lonza quality, ≥96.0% (GC)
For experimental / research use only.
Benzyl Acetoacetate >95.0%(GC)
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Safety Information:
Preferred SDS: View
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for benzyl acetoacetate usage levels up to:
  10.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.07 (μg/capita/day)
Structure Class: I
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: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -13.00000
beverages(nonalcoholic): -2.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -50.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -6.00000
fruit ices: -6.00000
gelatins / puddings: -10.00000
granulated sugar: --
gravies: --
hard candy: -13.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of benzyl derivatives used as flavor ingredients.View pdf
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 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23
View page or View pdf
Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
View page or View pdf
Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf
EPI System: View Calculate predicted properties
EPA Substance Registry Services (TSCA): 5396-89-4
EPA ACToR: Toxicology Data
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 benzyl 3-oxobutanoate
DTP/NCI: 4391
Chemidplus: 0005396894
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 benzyl 3-oxobutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5396-89-4
Pubchem (cid): 142266
Pubchem (sid): 135263334
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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 Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB40446
Export Tariff Code: 2915.39.9050
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 acetal 318FR
1-acetyl cyclohexyl acetateFL
 allyl heptanoateFL/FR
 allyl isovalerateFL/FR
 allyl octanoateFL/FR
 allyl salicylateFR
isoamyl 3-(2-furan) propionateFL/FR
 amyl acetateFL/FR
isoamyl acetateFL/FR
 amyl angelateFL
isoamyl angelateFL/FR
 amyl butyrateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyl heptanoateFL/FR
isoamyl heptanoateFL/FR
isoamyl hexanoateFL/FR
 amyl isobutyrateFL/FR
isoamyl isobutyrateFL/FR
isoamyl propionateFL/FR
para-anisyl formateFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl acetateFL/FR
 benzyl butyrateFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 benzyl propionateFL/FR
 berry hexanoateFR
isobutyl 2-butenoateFL/FR
 butyl acetateFL/FR
isobutyl acetateFL/FR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
2-butyl thiopheneFL
 butyl undecylenateFL/FR
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 cinnamyl formateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl isobutyrateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 clary propyl acetateFR
 cognac heptanoneFL/FR
 cyclohexyl formateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
2-decalinyl acetateFR
 diethyl maleateFL
2,4-difurfuryl furanFL
 dimethyl benzyl carbinyl acetateFL/FR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
 ethyl 2-furoateFL
2-ethyl butyl acetateFL/FR
 ethyl hexanoateFL/FR
 ethyl levulinateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 ethyl octanoateFL/FR
4-ethyl octanoic acidFL/FR
 furfuryl acetateFL/FR
 furfuryl propionateFL
(Z)-3-hepten-1-yl acetateFL/FR
 heptyl isobutyrateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
2-hexenyl cyclopentanyl acetateFR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 hexyl acetateFL/FR
 hexyl formateFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 linalyl butyrateFL/FR
 menthadienyl formateFR
3-mercaptohexyl acetateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-methyl valerateFL/FR
 methyl 4-phenyl butyrateFL
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
2-methyl butyl acetateFL/FR
 methyl butyrateFL/FR
 methyl cyclogeranateFR
 methyl decanoateFL/FR
alpha-methyl iononeFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 methyl isobutyrateFL/FR
3-nonanon-1-yl acetateFL/FR
(Z)-5-octen-1-yl propionateFL/FR
 octyl phenyl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 petitgrain lemon oilFL/FR
 phenethyl hexanoateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
 pineapple pentenoateFL/FR
 prenyl acetateFL/FR
isopropyl acetateFL/FR
isopropyl benzoateFL/FR
isopropyl octanoateFL/FR
isopropyl propionateFL/FR
 rhubarb pyranFR
 rose undeceneFR
 spicy acetoacetateFL/FR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
 tropical iononeFL/FR
 violet methyl carbonateFR
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Potential Uses:
 acacia cassie farnesianaFR
 blue grass 
 blue mist 
 bubble gumFR
 carnation dianthus oeilletFR
 cherry blossomFR
 christmas blendsFR
 crabapple blossomFR
 elder flowerFR
 fern fougereFR
 florida breeze 
 genet genista broomFR
 ginger whiteFR
 honeysuckle chevrefeuilleFR
 hyacinth jacintheFR
 jonquil narcissus jonquillaFR
 lilac lilas syringaFR
 linden blossom limeflower tilleulFR
 meadow countryFR
 melon watermelon muskmelon cantaloupe 
 muguet lily of the valleyFR
 narcissus narcisseFR
 new car 
 orange blossomFR
 outdoors freshFR
 passion fruitFR
 pina coladaFR
 plum greengage plum 
 rose tea roseFR
 rose whiteFR
 sweet peaFR
 woodruff asperulaFR
 ylang ylangFR
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Natural Occurrence in: note
 litchi chinesis
GRIN Trop Picture
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 acetoacetic acid benzyl ester
 acetoacetic acid, benzyl ester
 benzyl 3-oxobutanoate
 benzyl 3-oxobutyrate
 benzyl acetyl acetate
 benzyl acetylacetate
 benzyl beta-ketobutyrate
3-oxo-butanoic acid phenyl methyl ester
 butanoic acid, 3-oxo-, phenylmethyl ester
3-oxo-butyric acid benzyl ester
 phenyl methyl 3-oxobutanoate
 phenylmethyl 3-oxobutanoate
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Synonyms   Articles   Notes   Search   Top
click on the picture(s) below to
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Picture of molecule
Similar Items: note
amyl acetoacetate
isoamyl acetoacetate
para-anisyl acetoacetate
bergamot acetoacetate
butyl acetoacetate
isobutyl acetoacetate
cinnamyl acetoacetate
cyclohexyl acetoacetate
dodecyl acetoacetate
ethyl 2-ethyl acetoacetate
ethyl acetoacetate
geranyl acetoacetate
heptyl acetoacetate
(Z)-3-hexen-1-yl acetoacetate
hexyl acetoacetate
jasmin acetoacetate
laevo-menthyl acetoacetate
methyl acetoacetate
spicy acetoacetate
Soluble in:
 water, 6531 mg/L @ 25 °C (est)
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