benzyl acetoacetate
  • 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
  • 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
  • SAFC Global
    • SAFC
      Complete Supply Chain
      The perfect blend of products and services that bring your creativity to life.
      Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards.
      Email: Information
      US Email: Sales
      US Voice: 800-244-1173
      US Fax: 800-368-4661
      W213608 Benzyl acetoacetate ≥97%
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benzyl 3-oxobutanoate (Click)
CAS Number: 5396-89-4
ECHA EC Number: 226-416-4
Beilstein Number: 2049615
MDL: MFCD00008785
FEMA Number: 2136
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
Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients: Read Report
A GRAS assessment program for flavor ingredients: Read Report
Sensory testing for flavorings with modifying properties. Food Technology: Read Report
Criteria for the safety evaluation of flavoring substances: Read Report
A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils: Read Report
FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry: Read Report
Consumption ratio and food predominance of flavoring materials: Read Report
JECFA Food Flavoring: 848  benzyl acetoacetate
Flavis Number: 09.406 (Old)
EU SANCO 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
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
SAFC Global
Benzyl acetoacetate
Odor: floral; fruity; sweet.
Sigma-Aldrich: Aldrich
Benzyl acetoacetate ≥96% (GC)
produced by Wacker
For experimental / research use only.
Sigma-Aldrich: Aldrich
Benzyl acetoacetate 97%
For experimental / research use only.
Sigma-Aldrich: Aldrich
Benzyl acetoacetate Lonza quality, ≥96.0% (GC)
For experimental / research use only.
Sigma-Aldrich: Fluka
Benzyl acetoacetate technical, ≥90% (GC)
For experimental / research use only.
Benzyl Acetoacetate >95.0%(GC)
For experimental / research use only.
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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
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
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
Recommendation for benzyl acetoacetate usage levels up to:
  10.0000 % in the fragrance concentrate.
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:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of benzyl derivatives used as flavor ingredients.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
Export Tariff Code: 2915.39.9050
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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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
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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)
Insoluble in:
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