papaya isobutyrate
2-methyl-4-phenyl-2-butyl isobutyrate
 
Notes:
Flavouring ingredient with a fruit juice flavour
  • 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.
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      Product(s):
      04-64800 DIMETHYL PHENYLETHYL CARBINYL ISOBUTYRATE, Kosher
       
  • Sigma-Aldrich
    • Sigma-Aldrich
      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.
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      Certified Food Grade Products
      Product(s):
      W273601 Phenyl ethyl dimethyl carbinyl isobutyrate, ≥97%, FG
      SDS
       
  • Vigon International
    • Vigon International, Inc.
      Passion for Simplicity
      Manufacturer and supplier of high quality flavor and fragrance ingredients.
      The growth and success of Vigon is due in large part to a unique corporate concept that Vigon has developed and established within the industry: Creative Partnerships. This partnership concept has been and continues to be the foundation and guiding principle for all of Vigon's activities.
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      Product(s):
      501976 Dimethyl Phenyl Ethyl Carbinyl Isobutyrate
       
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(2-methyl-4-phenylbutan-2-yl) 2-methylpropanoate (Click)
CAS Number: 10031-71-7Picture of molecule
ECHA EINECS - REACH Pre-Reg: 233-092-8
FDA UNII: G0GW9X884I
Nikkaji Web: J185.963C
CoE Number: 2086
XlogP3-AA: 4.10 (est)
Molecular Weight: 234.33874000
Formula: C15 H22 O2
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
JECFA Food Flavoring: 1461  2-methyl-4-phenyl-2-butyl isobutyrate
Flavis Number: 09.484 (Old)
DG SANTE Food Flavourings: 09.484  1,1-dimethyl-3-phenylpropyl isobutyrate
FEMA Number: 2736  2-methyl-4-phenyl-2-butyl isobutyrate
FDA Mainterm: 2-METHYL-4-PHENYL-2-BUTYL ISOBUTYRATE
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 to pale yellow clear liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.94870 to 0.95670 @  25.00 °C.
Pounds per Gallon - (est).: 7.894 to  7.961
Specific Gravity: 0.95000 to 0.95800 @  20.00 °C.
Pounds per Gallon - est.: 7.914 to 7.981
Refractive Index: 1.47700 to 1.48200 @  20.00 °C.
Boiling Point: 250.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.000465 mm/Hg @ 25.00 °C. (est)
Flash Point: > 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 4.474 (est)
Soluble in:
 alcohol
 dipropylene glycol
 water, 2.109 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
 floral  green  fruity  sweet  papaya  juicy  
Odor Description:
at 100.00 %. 
floral green fruity sweet papaya juicy
 floral  green  fruity  powdery  honey  
Odor Description:
Floral, green, fruity and powdery with a honey nuance
Mosciano, Gerard P&F 20, No. 5, 49, (1995)
 green  floral  fruity  honey  tropical  
Taste Description:
at 10.00 ppm.  
Green, floral, fruity and honey with a tropical nuance
Mosciano, Gerard P&F 20, No. 5, 49, (1995)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
beta-Phenyl Ethyl Dimethyl Carbinyl Isobutyrate
Penta International
DIMETHYL PHENYLETHYL CARBINYL ISOBUTYRATE, Kosher
Sigma-Aldrich
Phenyl ethyl dimethyl carbinyl isobutyrate, ≥97%, FG
Certified Food Grade Products
Vigon International
Dimethyl Phenyl Ethyl Carbinyl Isobutyrate
Odor: FLORAL, GREEN, FRUITY, SWEET PAPAYA, JUICY
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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
 
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 papaya isobutyrate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.50 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (μg/capita/day)
Threshold of Concern:1800 (μg/person/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: 2.0000030.00000
beverages(nonalcoholic): 0.5000011.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 1.0000044.00000
fruit ices: 1.0000044.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -11.00000
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...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 89 (FGE.89): Consideration of phenyl-substituted aliphatic tertiary alcohols and related aldehydes and esters evaluated by JECFA (63rd and 68th meetings) structurally related to aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters evaluated by EFSA in FGE.18Rev1 (2009)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 10031-71-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61446
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 (2-methyl-4-phenylbutan-2-yl) 2-methylpropanoate
Chemidplus: 0010031717
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References:
 (2-methyl-4-phenylbutan-2-yl) 2-methylpropanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 10031-71-7
Pubchem (cid): 61446
Pubchem (sid): 135017036
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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): HMDB37640
FooDB: FDB016756
Export Tariff Code: 2915.60.0000
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
 
For Odor
aldehydic
 muguet undecadienalFR
balsamic
 cinnamyl alcoholFL/FR
 cinnamyl formateFL/FR
caramellic
 maltyl isobutyrateFL/FR
chocolate
 cocoa pentenalFL/FR
citrus
 grapefruit pentanolFR
fatty
2-decenalFL/FR
 amyl benzoateFL/FR
alpha-butyl cinnamaldehydeFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 cumin carbinolFR
 decyl formateFR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
6,8-dimethyl-2-nonanolFR
 ethyl phenyl acetateFL/FR
 floral butanalFR
 geranium oil bourbonFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth acetalsFL/FR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 mimosa absolute franceFL/FR
 neroli oil bigardeFL/FR
 nerolidolFL/FR
 orange leaf absoluteFL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 phenethyl acetateFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
3-phenyl propyl formateFL/FR
isopropyl phenyl acetateFL/FR
 rhodinyl phenyl acetateFL/FR
 rose butanoateFL/FR
 verdyl acetateFR
isoamyl propionateFL/FR
 ethyl butyrateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl propionateFL/FR
 geranyl methyl tiglate 
2-methyl butyl acetateFL/FR
 propyl isobutyrateFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
 ivy dioxolaneFR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
4-methyl-4-phenyl pentanoneFR
 octanal dimethyl acetalFL/FR
1-penten-3-olFL/FR
herbal
 viridiflorolFL/FR
honey
 methyl phenyl acetateFL/FR
musty
 cocoa butenalFL/FR
spicy
isoeugenyl phenyl acetateFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 grapefruit menthaneFL/FR
 passiflora acetateFL/FR
tropical
 tropical 3-thiobutyrateFL/FR
waxy
3-decanoneFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
isoamyl 3-methyl thiopropionateFL
 amyl benzoateFL/FR
3-decanoneFL/FR
 dimethyl benzyl carbinolFL/FR
 ethyl 3-octenoateFL
3-phenyl propyl formateFL/FR
 viridiflorolFL/FR
alliaceous
 tropical thiazoleFL/FR
aromatic
 hyacinth acetalsFL/FR
fatty
2-decenalFL/FR
floral
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 cocoa pentenalFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geranium oil bourbonFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
 methyl phenyl acetateFL/FR
 neroli oil bigardeFL/FR
 orange leaf absoluteFL/FR
 orris rhizome resinoid (iris pallida)FL/FR
 tropical iononeFL/FR
fruity
isoamyl propionateFL/FR
 ethyl butyrateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl propionateFL/FR
 geranyl methyl tiglate 
2-methyl butyl acetateFL/FR
 propyl isobutyrateFL/FR
 rose butanoateFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
green
alpha-butyl cinnamaldehydeFL/FR
 cassis pentanoneFL/FR
 cinnamyl alcoholFL/FR
 cocoa butenalFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
 nerolidolFL/FR
 octanal dimethyl acetalFL/FR
1-penten-3-olFL/FR
honey
 ethyl phenyl acetateFL/FR
 phenethyl acetateFL/FR
isopropyl phenyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
spicy
 cinnamyl formateFL/FR
isoeugenyl phenyl acetateFL/FR
sulfurous
 buchu mercaptanFL/FR
 grapefruit menthaneFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
 passiflora acetateFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
alpha-hexyl cinnamaldehydeFL/FR
 mimosa absolute franceFL/FR
 rhodinyl phenyl acetateFL/FR
 
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Potential Uses:
 bean locust bean 
 cherryFR
 grapeFR
 honey mielFR
 honeysuckle chevrefeuilleFR
 melonFR
 papayaFR
 raspberryFR
 strawberryFR
 tea 
 tropicalFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
isobutyric acid 1,1-dimethyl-3-phenyl propyl ester
isobutyric acid, 1,1-dimethyl-3-phenylpropyl ester
 dimethyl phenethyl carbinyl isobutyrate
 dimethyl phenyl ethyl carbinyl isobutyrate
 dimethyl phenylethyl carbinyl isobutyrate
1,1-dimethyl-3-phenyl propyl 2-methyl propanoate
1,1-dimethyl-3-phenyl propyl isobutyrate
1,1-dimethyl-3-phenylpropyl 2-methylpropanoate
1,1-dimethyl-3-phenylpropyl isobutyrate
 dimethyl(phenyl ethyl) carbinyl isobutyrate
 dimethyl(phenylethyl)carbinyl isobutyrate
 dimethylphenyl ethylcarbinyl isobutyrate
 DMPEC isobutyrate
2-methyl propanoic acid 1,1-dimethyl-3-phenyl propyl ester
2-methyl-4-phenyl-2-butyl 2-methyl propanoate
2-methyl-4-phenyl-2-butyl isobutyrate
2-methyl-4-phenylbutan-2-yl 2-methylpropanoate
(2-methyl-4-phenylbutan-2-yl) 2-methylpropanoate
 papaya isobutyrate
 phenyl ethyl dimethyl carbinyl isobutyrate
 phenylethyl dimethyl carbinyl isobutyrate
 propanoic acid, 2-methyl-, 1,1-dimethyl-3-phenylpropyl ester
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Articles:
 None found yet.
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