2-methyl allyl butyrate
2-methylallyl butyrate
 
Notes:
Flavouring ingredient
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      7149-29-3 2-Methylallyl Butyrate
       
  • R C Treatt & Co Ltd
    • R C Treatt and Co Ltd
      Innovative ingredient solutions
      World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.
      We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products.
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      Product(s):
      2-Methallyl butyrate
       
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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, Edge or firefox)
EFSA/JECFA Comments: Substance not supported by industry
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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):7149-29-3 ; 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.
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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 mmHg @ 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
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Organoleptic Properties:
 
Odor Type: fruity
 
 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).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
2-Methylallyl Butyrate
Parchem
2-methyl allyl butyrate
R C Treatt & Co Ltd
2-Methallyl butyrate
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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
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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
Click here to view publication 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: --
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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):
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
Scientific Opinion on Flavouring Group Evaluation 201 Revision 2 (FGE.201Rev2): 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
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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
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References:
 2-methylprop-2-enyl butanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7149-29-3
Pubchem (cid): 251530
Pubchem (sid): 135264471
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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): HMDB36236
FooDB: FDB015094
Export Tariff Code: 2915.60.0000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alcoholic
 fusel oilFL/FR
chemical
isobutyl formateFL/FR
ethereal
 acetalFL/FR
 butyl acetateFL/FR
 ethyl acetateFL/FR
 ethyl pyruvateFL/FR
 methyl acetateFL/FR
 methyl ethyl ketoneFL/FR
2-methyl valeraldehydeFL/FR
isopropyl acetateFL/FR
 propyl valerateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
floral
 nonan-3-yl acetateFL/FR
fruity
 acetaldehyde diisoamyl acetalFL/FR
 amyl acetateFL/FR
 amyl formateFL/FR
 amyl heptanoateFL/FR
 benzyl methyl etherFL/FR
isobutyl acetateFL/FR
isobutyl butyrateFL/FR
isobutyl valerateFL/FR
 diethyl malonateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl propionateFL/FR
 geranyl ethyl etherFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl 4-methyl valerateFL/FR
 methyl butyrateFL/FR
 methyl hexanoateFL/FR
 methyl isobutyrateFL/FR
 methyl isovalerateFL/FR
2-pentanoneFL/FR
 pineapple pentenoateFL/FR
isopropyl 2-methyl butyrateFL/FR
isopropyl butyrateFL/FR
isopropyl propionateFL/FR
 styralyl butyrateFL/FR
green
 cognac heptanoneFL/FR
(E)-2-hexen-1-yl valerateFL/FR
 methyl (E)-3-hexenoateFL/FR
(Z)-2-penten-1-olFL/FR
herbal
 linalyl isovalerateFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde diisoamyl acetalFL/FR
 butyl methyl ketoneFL
 ethyl 2-methyl-2-(methyl thio) propionateFL
 geranyl ethyl etherFL/FR
2-heptenoic acidFL
2-methyl butyl isobutyrateFL
2-methyl butyl propionateFL
S-(methyl thio) hexanoateFL
 nonan-3-yl acetateFL/FR
 propyl valerateFL/FR
chemical
 methyl ethyl ketoneFL/FR
citrus
 cognac heptanoneFL/FR
ethereal
 butyl acetateFL/FR
 ethyl acetateFL/FR
 methyl acetateFL/FR
 methyl isobutyrateFL/FR
isopropyl acetateFL/FR
fruity
 amyl acetateFL/FR
 amyl formateFL/FR
 amyl heptanoateFL/FR
 benzyl methyl etherFL/FR
isobutyl acetateFL/FR
isobutyl butyrateFL/FR
isobutyl valerateFL/FR
 diethyl malonateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl propionateFL/FR
 furfuryl valerateFL
 fusel oilFL/FR
 linalyl isovalerateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl 4-methyl valerateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
2-pentanoneFL/FR
 pineapple pentenoateFL/FR
isopropyl 2-methyl butyrateFL/FR
isopropyl butyrateFL/FR
isopropyl propionateFL/FR
 styralyl butyrateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fusel
 methyl butyrateFL/FR
green
2-ethyl butyraldehydeFL
(E)-2-hexen-1-yl valerateFL/FR
 methyl (E)-3-hexenoateFL/FR
(Z)-2-penten-1-olFL/FR
nutty
 acetalFL/FR
pungent
 acetaldehydeFL
rummy
isobutyl formateFL/FR
 ethyl pyruvateFL/FR
vegetable
2-methyl valeraldehydeFL/FR
 
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Potential Uses:
 appleFL
 fruitFR
 plumFL
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Occurrence (nature, food, other): note
 not found in nature
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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
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