isoamyl acetoacetate
isopentyl acetoacetate
 
Notes:
Flavouring ingredient
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Constantly Improving
      Working closely with our customers to meet their requirements.
      Paul Bedoukian founded the company to fill a niche as a supplier of high quality specialty aroma and flavor ingredients. In 1975 the company began manufacturing insect pheromones which are chemically similar to flavor and fragrance ingredients. Today, Bedoukian Research offers more than 450 Aroma Chemicals and 50 Insect Pheromones, while also providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries.
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      Product(s):
      541 ISOAMYL ACETOACETATE ≥98.0% (sum of isomers), Kosher
      SDS
      Can be used for a pleasant,sweet, fruity topnote in fragrances for shampoos, body lotions, etc.
      For a subtle, fruity note in banana, pear or mango compositions
       
       
  • 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.
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      Product(s):
      W092 isoamyl acetoacetate
       
  • Frutarom
    • Frutarom Ltd
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      Your preferred partner for flavour and fragrance success.
      At Frutarom, we take pride in our expertise and knowledge of Flavour & Fragrance Ingredients and our thorough understanding of the needs of Flavourists, Perfumers and Food Technologists. Working closely with our customers we have a strong track record of providing unique solutions to fulfil requirements.
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      Product(s):
      I0050-0 isoAMYL ACETOACETATE
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
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      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.
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      Product(s):
      09-12000 isoAMYL ACETOACETATE, Kosher
       
  • TCI AMERICA
    • TCI AMERICA
      Moving Your Chemistry Forward
      We continuously strive to advance our technology.
      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 60 years of synthesis experience and multi-purpose plants enable TCI to offer more than 27,000 products as well as custom synthesis. TCI established overseas facilities in North America, Europe, China and India to serve customers worldwide.
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      Product(s):
      A0812 isoAmyl Acetoacetate >97.0%(GC)
       
Synonyms   Articles   Notes   Search
3-methylbutyl 3-oxobutanoate (Click)
CAS Number: 2308-18-1Picture of molecule
ECHA EINECS - REACH Pre-Reg: 218-991-5
FDA UNII: 4QVH533ZIY
Nikkaji Web: J149.306J
MDL: MFCD00059355
CoE Number: 227
XlogP3: 1.60 (est)
Molecular Weight: 172.22412000
Formula: C9 H16 O3
NMR Predictor: Predict (works with chrome or firefox)
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
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 598  isoamyl acetoacetate
Flavis Number: 09.401 (Old)
DG SANTE Food Flavourings: 09.401  isopentyl acetoacetate
FEMA Number: 3551  isoamyl acetoacetate
FDA Mainterm: ISOAMYL ACETOACETATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.96800 @  25.00 °C.
Boiling Point: 89.00 to  91.00 °C. @ 6.00 mm Hg
Boiling Point: 222.00 to  224.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.167000 mm/Hg @ 25.00 °C. (est)
Flash Point: 215.00 °F. TCC ( 101.67 °C. )
logP (o/w): 1.740 (est)
Soluble in:
 alcohol
 oils
 water, 5708 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
amyl acetoacetate
para-anisyl acetoacetate
benzyl 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
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Organoleptic Properties:
Odor Type: ethereal
Odor Strength: medium
 ethereal  sweet  winey  green  fermented  
Odor Description:
at 100.00 %. 
ethereal sweet wine green fermented
 apple green apple  
Taste Description:
green apple
  
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Cosmetic Information:
None found
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Suppliers:
Bedoukian Research
ISOAMYL ACETOACETATE
≥98.0% (sum of isomers), Kosher
Odor: sweet, ethereal, fruity, ripe banana
Use: Can be used for a pleasant,sweet, fruity topnote in fragrances for shampoos, body lotions, etc.
Flavor: fruity
For a subtle, fruity note in banana, pear or mango compositions
CTC Organics
isoamyl acetoacetate
Frutarom
isoAMYL ACETOACETATE
Inoue Perfumery
isoAMYL ACETOACETATE
Penta International
isoAMYL ACETOACETATE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
isoAmyl Acetoacetate
TCI AMERICA
For experimental / research use only.
isoAmyl Acetoacetate >97.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
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 36/39 - Wear suitable clothing 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:
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 isoamyl acetoacetate usage levels up to:
  6.0000 % in the fragrance concentrate.
 
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: 11
Click here to view publication 11
 average usual ppmaverage maximum ppm
baked goods: -166.00000
beverages(nonalcoholic): -80.50000
beverages(alcoholic): -54.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -83.20000
fruit ices: --
gelatins / puddings: -81.60000
granulated sugar: --
gravies: --
hard candy: --
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: -106.00000
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...
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
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61296
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 3-methylbutyl 3-oxobutanoate
Chemidplus: 0002308181
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References:
 3-methylbutyl 3-oxobutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 2308-18-1
Pubchem (cid): 61296
Pubchem (sid): 135017440
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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): HMDB36396
FooDB: FDB015275
Export Tariff Code: 2915.39.9000
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
FAO: Isoamyl acetoacetate
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Potential Blenders and core components note
 
For Odor
balsamic
balsamic
 opoponax oil (balsamodendron kafal)FL/FR
 opoponax resinoid (balsamodendron kafal)FR
 terpinyl cinnamateFL/FR
caramellic
 diethyl malateFL/FR
earthy
 amyl octanoateFL/FR
 methyl 3-hexenoateFL/FR
ethereal
 butyl acetateFL/FR
isobutyl alcoholFL/FR
 cyclohexyl formateFL/FR
isopropyl acetateFL/FR
fatty
 butyl undecylenateFL/FR
 methyl (E)-2-hexenoateFL/FR
fermented
 methyl decanoateFL/FR
3-methyl-1-pentanolFL/FR
2-pentanolFL/FR
floral
 dimethyl anthranilateFL/FR
 geranyl acetateFL/FR
 linalyl butyrateFL/FR
 phenethyl hexanoateFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
fruity
 acetoin acetateFL/FR
 allyl isovalerateFL/FR
 allyl salicylateFR
 amyl acetateFL/FR
isoamyl acetateFL/FR
 amyl butyrateFL/FR
 amyl heptanoateFL/FR
isoamyl hexanoateFL/FR
 amyl isobutyrateFL/FR
isoamyl isobutyrateFL/FR
isoamyl propionateFL/FR
isobutyl (E)-2-butenoate 
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
isobutyl isovalerateFL/FR
 cyclohexyl acetateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl sebacateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
2-ethyl butyl acetateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
 farnesyl acetoneFL/FR
 furfuryl acetateFL/FR
 geranyl acetoacetateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl 4-methyl valerateFL/FR
 methyl butyrateFL/FR
 methyl nonanoateFL/FR
 methyl propionateFL/FR
2-pentanoneFL/FR
 prenyl acetateFL/FR
 propyl heptanoateFL/FR
isopropyl octanoateFL/FR
isopropyl propionateFL/FR
(E,E)-sorbyl butyrateFL/FR
 sorbyl butyrateFL/FR
1,3,4-trimethyl pentyl 2-butenoate 
green
 benzaldehyde dimethyl acetalFL/FR
green cognac oilFL/FR
 heptanal (aldehyde C-7)FL/FR
(Z)-3-hepten-1-yl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(E)-2-hexenalFL/FR
3-hexenyl acetateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
(Z)-5-octen-1-yl propionateFL/FR
herbal
 acetyl tributyl citrateFL/FR
isoamyl tiglateFL/FR
 clary sage concreteFL/FR
white cognac oilFL/FR
 ethyl chrysanthemateFR
 phenethyl senecioateFL/FR
honey
 methyl hydrocinnamateFL/FR
roasted
2-methyl-1-butanolFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl laurateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
winey
 butyl angelateFL/FR
2-hexanolFL/FR
 
For Flavor
 
No flavor group found for these
 acetyl tributyl citrateFL/FR
 amyl isobutyrateFL/FR
 amyl octanoateFL/FR
isoamyl tiglateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
 butyl angelateFL/FR
isobutyraldehyde propylene glycol acetalFL
 diethyl laevo-tartrateFL/FR
 diethyl malateFL/FR
 diethyl maleateFL
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl aconitateFL
1-ethyl-2-methyl propyl chrysanthemumate 
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
2-hexanolFL/FR
3-hexenyl acetateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl hydrocinnamateFL/FR
 methyl propionateFL/FR
2-methyl-1-butanolFL/FR
 phenethyl senecioateFL/FR
(E,E)-sorbyl butyrateFL/FR
 sorbyl propionateFL
1,3,4-trimethyl pentyl 2-butenoate 
balsamic
 opoponax oil (balsamodendron kafal)FL/FR
estery
 furfuryl acetateFL/FR
ethereal
 butyl acetateFL/FR
isobutyl alcoholFL/FR
isopropyl acetateFL/FR
fatty
isoamyl laurateFL/FR
 methyl decanoateFL/FR
floral
 linalyl butyrateFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
fruity
 acetoin acetateFL/FR
 allyl isovalerateFL/FR
isoamyl acetateFL/FR
 amyl acetateFL/FR
 amyl butyrateFL/FR
 amyl heptanoateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
isoamyl propionateFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
 diethyl sebacateFL/FR
 dimethyl anthranilateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 furfuryl propionateFL
(E)-3-hexen-1-yl acetateFL/FR
 hexyl phenyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl 3-hexenoateFL/FR
 methyl 4-methyl valerateFL/FR
2-pentanoneFL/FR
 prenyl acetateFL/FR
isopropyl octanoateFL/FR
isopropyl propionateFL/FR
 sorbyl butyrateFL/FR
 terpinyl cinnamateFL/FR
fusel
white cognac oilFL/FR
green cognac oilFL/FR
 methyl butyrateFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
isobutyl isovalerateFL/FR
 cyclohexyl formateFL/FR
 geranyl acetateFL/FR
 heptanal (aldehyde C-7)FL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(E)-2-hexenalFL/FR
 hexyl isobutyrateFL/FR
(Z)-5-octen-1-yl propionateFL/FR
herbal
 clary sage concreteFL/FR
musty
2-pentanolFL/FR
solvent
 cyclohexyl acetateFL/FR
waxy
 allyl nonanoateFL/FR
isobutyl (E)-2-butenoate 
 butyl undecylenateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 phenethyl hexanoateFL/FR
 propyl heptanoateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
 appleFR
 greenFR
 herbalFR
 sweetFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 acetoacetic acid isoamyl ester
 acetoacetic acid, isopentyl ester
isoamyl 3-ketobutyrate
isoamyl 3-oxobutanoate
isoamyl acetylacetate
isoamyl beta-ketobutyrate
 butanoic acid, 3-oxo-, 3-methylbutyl ester
3-methyl butyl 3-oxobutanoate
3-methyl butyl acetoacetate
3-methyl butyl beta-ketobutyrate
3-methylbutyl 3-oxobutanoate
3-methylbutyl 3-oxobutyrate
3-methylbutyl acetoacetate
3-methylbutyl beta-ketobutyrate
isopentyl 3-oxobutanoate
isopentyl acetoacetate
isopentyl beta-ketobutyrate
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