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papaya isobutyrate

Chemical Structure

General Material Information

Preferred name papaya isobutyrate
Trivial Name 1,1-Dimethyl-3-phenylpropyl 2-methylpropanoate
Short Description 2-methyl-4-phenyl-2-butyl isobutyrate
Formula C15 H22 O2
CAS Number 10031-71-7
FEMA Number 2736
Flavis Number 9.484
ECHA Number 233-092-8
FDA UNII G0GW9X884I
Nikkaji Number J185.963C
COE Number 2086
xLogP3-AA 4.10 (est)
NMR Predictor External link
JECFA Food Flavoring 1461 2-methyl-4-phenyl-2-butyl isobutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 10031-71-7 ; 2-METHYL-4-PHENYL-2-BUTYL ISOBUTYRATE
Synonyms
  • iso butyric acid 1,1-dimethyl-3-phenyl propyl ester
  • iso butyric 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
  • phenyl ethyl dimethyl carbinyl isobutyrate
  • phenylethyl dimethyl carbinyl isobutyrate
  • propanoic acid, 2-methyl-, 1,1-dimethyl-3-phenylpropyl ester
  • (2-methyl-4-phenylbutan-2-yl) 2-methylpropanoate
  • Isobutyric acid, 1,1-dimethyl-3-phenylpropyl ester
  • 1,1-Dimethyl-3-phenylpropyl 2-methylpropanoate
  • 1,1-Dimethyl-3-phenylpropyl isobutyrate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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):HMDB37640
FooDB:FDB016756
Export Tariff Code:2915.60.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 234.33874511719
Specific gravity @ 25 °C
Pounds per Gallon 7.894 to 7.961
Specific gravity @ 20 °C
Pounds per Gallon 7.914 to 7.981
Refractive Index 1.477 to 1.482 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 0.000465 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 4.474 est
Solubility
alcohol Yes
dipropylene glycol Yes
water, 2.109 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
floral, green, geranium, honey, powdery, papaya, tropical, raisin, plum, fruity
Odor strength medium
Substantivity 94 hour(s) at 100.00 %
Luebke, William tgsc, (2021) At 100.00 %. floral green geranium honey powdery papaya tropical raisin plum
Mosciano, Gerard P&F 20, No. 5, 49, (1995) Floral, green, fruity and powdery with a honey nuance
Flavor Type: Green
green, geranium, floral, honey, tobacco, tropical, raisin, fruity
Luebke, William tgsc, (2021) Green geranium floral honey tobacco tropical raisin fruity
Mosciano, Gerard P&F 20, No. 5, 49, (1995) At 10.00 ppm. Green, floral, fruity and honey with a tropical nuance

Safety Information

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

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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: --

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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