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maltyl isobutyrate

Chemical Structure

General Material Information

Preferred name maltyl isobutyrate
Trivial Name Maltol isobutyrate
Short Description maltol isobutyrate
Formula C10 H12 O4
CAS Number 65416-14-0
FEMA Number 3462
Flavis Number 9.525
ECHA Number 265-755-2
FDA UNII 6LE3UBK142
Nikkaji Number J208.709J
MDL MFCD00036606
COE Number 10739
xLogP3-AA 1.50 (est)
NMR Predictor External link
JECFA Food Flavoring 1482 maltyl isobutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 65416-14-0 ; MALTYL ISOBUTYRATE
Synonyms
  • maltol iso butyrate
  • maltol isobutyrate
  • maltol isobutyrate natural
  • maltol isobutyrate synthetic
  • maltol-iso-butyrate
  • maltolisobutyrate
  • maltyl 2-methyl propanoate
  • maltyl iso butyrate
  • 2-methyl propanoic acid 2-methyl-4-oxo-4H-pyran-3-yl ester
  • 2-methyl-4-oxo-4H-pyran-3-yl 2-methyl propanoate
  • 2-methyl-4-oxo-4H-pyran-3-yl 2-methylpropanoate
  • 2-methyl-4-oxo-4H-pyran-3-yl isobutyrate
  • 2-methyl-4-oxopyran-3-yl 2-methylpropanoate
  • 2-methyl-4-oxopyran-3-yl isobutyrate
  • (2-methyl-4-oxopyran-3-yl) 2-methylpropanoate
  • 2-methyl-4-pyron-3-yl 2-methyl propanoate
  • propanoic acid, 2-methyl-, 2-methyl-4-oxo-4H-pyran-3-yl ester
  • (2-methyl-4-oxopyran-3-yl) 2-methylpropanoate
  • 2-Methyl-4-oxo-4H-pyran-3-yl 2-methylpropanoate
  • 2-Methyl-4-oxo-4H-pyran-3-yl isobutyrate

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

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Literature & References

(2-methyl-4-oxopyran-3-yl) 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:65416-14-0
Pubchem (cid):3354132
Pubchem (sid):135267595
Publications by Info
maltol and related substances

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32365
FooDB:FDB009757
Export Tariff Code:2932.99.9090
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 196.20243835449
Specific gravity @ 25 °C
Pounds per Gallon 9.494 to 9.577
Refractive Index 1.493 to 1.501 @ 20 °C
Vapor Pressure 0.00028 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 1.362 est
Solubility
alcohol Yes
water, 1628 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Caramellic
sweet, strawberry, fruity, tropical, berry, cotton candy, fruit dried fruit, burnt, caramellic, sugar, jammy
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity > 336 hour(s) at 100.00 %
Luebke, William tgsc, (1997) At 10.00 % in propylene glycol. sweet strawberry fruity tropical berry cotton candy
Mosciano, Gerard P&F 25, No. 4, 71, (2000) At 1.00 %. Sweet, fruit and slight burnt, caramelized sugar jamy notes with cotton candy afternote
Flavor Type: Jammy
sweet, jammy, fruity, milky, caramellic, bubble gum, cotton candy
Mosciano, Gerard P&F 25, No. 4, 71, (2000) At 10.00 - 30.00 ppm. Sweet, jamy, fruity, milky, caramellic with bubble gum and cotton candy nuances
Fresh fruits, especially strawberry, apple, pineapple. May also be used for butter rum and butterscotch flavors. Sweet, fresh, fruity notes, with slight buttery back notes
General comment , fruity-strawberry note; sweet, creamy, tropical with a jam-like aftertaste

Safety Information

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 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves 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

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 maltyl isobutyrate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 20.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 38.00 (μg/capita/day)
Structure Class: II
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: 9
Click here to view publication 9
average usual ppmaverage maximum ppm
baked goods: -300.00000
beverages(nonalcoholic): -50.00000
beverages(alcoholic): -100.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -200.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -100.00000
fruit ices: -100.00000
gelatins / puddings: -120.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: -100.00000
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 213: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 73, Revision 3 (FGE.73Rev3): Consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev4 (2013)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 9, Revision 5 (FGE.09Rev5): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 87, Revision 2 (FGE.87Rev2): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47Rev1 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 213, Revision 2 (FGE.213Rev2): Consideration of genotoxic potential for a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):65416-14-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3354132
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(2-methyl-4-oxopyran-3-yl) 2-methylpropanoate
Chemidplus:0065416140