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BT
 

2-methyl allyl butyrate
2-methylallyl butyrate

Sponsors

Name: 2-methylprop-2-enyl butanoate
CAS Number: 7149-29-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 230-474-6
FDA UNII: 3HSQ94YKHE
Nikkaji Web: J183.072D
CoE Number: 572
XlogP3-AA: 2.20 (est)
Molecular Weight: 142.19798000
Formula: C8 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring 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: 1207 2-methylallyl butyrate
FEMA Number: 2678 2-methylallyl butyrate
FDA Mainterm: 2-METHYLALLYL BUTYRATE
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.
 
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.87300 to 0.88300 25.00 °C.
Pounds per Gallon - (est).: 7.264 to 7.347
Refractive Index: 1.42200 to 1.42800 @ 20.00 °C.
Boiling Point: 168.00 °C. @ 760.00 mm Hg
Vapor Pressure: 1.470000 mm/Hg @ 25.00 °C. (est)
Flash Point: 148.00 °F. TCC ( 64.44 °C. )
logP (o/w): 2.527 (est)
Soluble in:
 alcohol
 water, 368.6 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 fruity ethereal
Odor Description:
at 10.00 % in dipropylene glycol.
powerful fruity ether
Flavor Type: fruity
 sweet pineapple apple plum
Taste Description:
sweet pineapple apple plum
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Methylallyl Butyrate
Parchem
2-methyl allyl butyrate
Treatt
2-Methallyl butyrate
 
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: flavoring agents
Recommendation for 2-methyl allyl butyrate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (μg/capita/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
 average usual ppmaverage maximum ppm
baked goods: -0.20000
beverages(nonalcoholic): -0.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
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: --
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):
List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
Flavouring Group Evaluation 201: 2-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.2 of FGE.19[1]
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 201 Revision 1 (FGE.201Rev1): 2-Alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19.
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 251530
National Institute of Allergy and Infectious Diseases: Data
 2-methylprop-2-enyl butanoate
Chemidplus: 0007149293
 
References:
 2-methylprop-2-enyl butanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7149-29-3
Pubchem (cid): 251530
Pubchem (sid): 135264471
 
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): HMDB36236
FooDB: FDB015094
Export Tariff Code: 2915.60.0000
ChemSpider: View
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
butyl methyl ketone
FL
ethyl 2-methyl-2-(methyl thio) propionate
FL
2-
heptenoic acid
FL
2-
methyl butyl isobutyrate
FL
2-
methyl butyl propionate
FL
S-(
methyl thio) hexanoate
FL
fruity
fruity
furfuryl valerate
FL
green
2-
ethyl butyraldehyde
FL
pungent
acetaldehyde
FL
 
Potential Uses:
 appleFL
 fruit 
 plumFL
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
 butanoic acid 2-methyl-2-propenyl ester
 butanoic acid, 2-methyl-2-propen-1-yl ester
 butanoic acid, 2-methyl-2-propenyl ester
 butyric acid 2-methyl allyl ester
 butyric acid, 2-methylallyl ester
2-methallyl butyrate
2-methyl allyl butanoate
2-methyl-2-propen-1-yl butyrate
2-methyl-2-propenyl butanoate
2-methyl-2-propenyl butyrate
2-methylallyl butyrate
2-methylprop-2-en-1-yl butyrate
2-methylprop-2-enyl butanoate
 
 
Notes:
Flavouring ingredient
 
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