We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

alpha,alpha-dimethyl benzyl isobutyrate

Chemical Structure

General Material Information

Preferred name alpha,alpha-dimethyl benzyl isobutyrate
Trivial Name 1-Methyl-1-phenylethyl 2-methylpropanoate
Short Description alpha,alpha-dimethylbenzyl isobutyrate
Formula C13 H18 O2
CAS Number 7774-60-9
FEMA Number 2388
Flavis Number 9.509
ECHA Number 231-876-4
FDA UNII 40AZG77VFH
Nikkaji Number J183.038D
COE Number 11828
xLogP3-AA 3.20 (est)
NMR Predictor External link
JECFA Food Flavoring 1657 alpha,alpha-dimethylbenzyl isobutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7774-60-9 ; ALPHA,ALPHA-DIMETHYLBENZYL ISOBUTYRATE
Synonyms
  • iso butyric acid alpha,alpha-dimethyl benzyl ester
  • alpha,alpha- dimethyl benzyl 2-methyl propanoate
  • alpha,alpha- dimethylbenzyl isobutyrate
  • 2-methyl propanoic acid 1-methyl-1-phenyl ethyl ester
  • 1-methyl-1-phenethyl isobutyrate
  • 1-methyl-1-phenyl ethyl 2-methyl propanoate
  • 1-methyl-1-phenyl ethyl isobutyrate
  • 1-methyl-1-phenylethyl isobutyrate
  • phenyl dimethyl carbinyl isobutyrate
  • 2-phenyl propan-2-yl 2-methyl propanoate
  • 2-phenyl propan-2-yl isobutyrate
  • 2-phenylpropan-2-yl 2-methylpropanoate
  • 2-phenylpropan-2-yl 2-methylpropanoate
  • Propanoic acid, 2-methyl-, 1-methyl-1-phenylethyl ester
  • Isobutyric acid, α,α-dimethylbenzyl ester
  • Benzyl alcohol, α,α-dimethyl-, isobutyrate
  • 1-Methyl-1-phenylethyl 2-methylpropanoate
  • α,α-Dimethylbenzyl isobutyrate
  • 2-Phenyl-2-propanol isobutyrate

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

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

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):HMDB37623
FooDB:FDB016737
Export Tariff Code:2915.60.0000
ChemSpider:View

Suppliers

Parchem

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 206.28486633301
Boiling Point 259 to 260°C @ 760 mm Hg
Vapor Pressure 0.012 mmHg @ 25 °C
Flash Point TCC Value 92.78 °C TCC
logP (o/w) 3.51
Solubility
alcohol Yes
water, 20.5 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, fruity, apricot, peach, plum, green, dry
General comment At 100.00 %. sweet fruity apricot peach plum green dry
Flavor Type: Fruity
fruity, citrus, green, dry, banana, plum
General comment Fruity citrus green dry banana plum

Potential Uses

Applications
Odor purposes Apricot, Banana, Fruit, Peach, Plum
Flavoring purposes Fruit tropical fruit, Tropical

Safety Information

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
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 alpha,alpha-dimethyl benzyl isobutyrate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/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: -20.00000
beverages(nonalcoholic): -5.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -40.00000
fruit ices: -40.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -30.00000
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: --
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000

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):7774-60-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11830590
National Institute of Allergy and Infectious Diseases:Data
2-phenylpropan-2-yl 2-methylpropanoate
Chemidplus:0007774609