allyl crotonate
prop-2-enyl (E)-but-2-enoate
 
Notes:
Found in roasted filberts (Corylus avellana)
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      20474-93-5 Allyl Crotonate
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      01-17850 ALLYL CROTONATE
       
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CAS Number: 20474-93-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 243-845-2
FDA UNII: QK441L7HUM
Nikkaji Web: J100.582K
MDL: MFCD00026990
CoE Number: 2222
XlogP3-AA: 1.60 (est)
Molecular Weight: 126.15510000
Formula: C7 H10 O2
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
CAS Number: 5453-44-1Picture of molecule3D/inchi
XlogP3-AA: 1.60 (est)
Molecular Weight: 126.15510000
Formula: C7 H10 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
DG SANTE Food Flavourings: 09.247  allyl crotonate
FEMA Number: 4072 allyl crotonate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):20474-93-5 ; ALLYL CROTONATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.94200 to 0.94700 @  25.00 °C.
Pounds per Gallon - (est).: 7.838 to  7.880
Refractive Index: 1.44000 to 1.45000 @  20.00 °C.
Boiling Point: 63.00 to  65.00 °C. @ 16.00 mm Hg
Boiling Point: 146.00 °C. @ 760.00 mm Hg
Vapor Pressure: 3.683000 mmHg @ 25.00 °C. (est)
Flash Point: 123.00 °F. TCC ( 50.56 °C. )
logP (o/w): 2.069 (est)
Soluble in:
 alcohol
 water, 1916 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
isoamyl crotonate
apple crotonate
benzyl crotonate
butyl (E)-2-crotonate
citronellyl crotonate
cyclohexyl crotonate
dimethyl benzyl carbinyl crotonate
ethyl (E)-2-crotonate
ethyl crotonate
fig crotonate
geranyl crotonate
heptyl crotonate
(Z)-3-hexen-1-yl (E)-crotonate
(E)-3-hexen-1-yl crotonate
hexyl (E)-crotonate
octyl crotonate
phenethyl crotonate
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plum crotonate
isopropyl (E)-crotonate
propyl crotonate
isopropyl 3-methyl thiocrotonate
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Organoleptic Properties:
 
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.
Allyl Crotonate
Parchem
allyl crotonate
Penta International
ALLYL CROTONATE
Santa Cruz Biotechnology
For experimental / research use only.
Allyl Crotonate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Allyl crotonate
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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
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Safety in Use Information:
Category: flavoring agents
IFRA Purity Specification: < 0.1% free allyl alcohol
Recommendation for allyl crotonate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.04 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 2000 (μg/person/day)
Threshold of Concern:540 (μg/person/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: 22
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 10.0000050.00000
beverages(nonalcoholic): 5.0000025.00000
beverages(alcoholic): --
breakfast cereal: 5.0000025.00000
cheese: 7.0000035.00000
chewing gum: --
condiments / relishes: 5.0000025.00000
confectionery froastings: 10.0000050.00000
egg products: --
fats / oils: 5.0000025.00000
fish products: 2.0000010.00000
frozen dairy: 7.0000035.00000
fruit ices: 10.0000050.00000
gelatins / puddings: 5.0000025.00000
granulated sugar: --
gravies: 20.00000100.00000
hard candy: --
imitation dairy: 7.0000035.00000
instant coffee / tea: --
jams / jellies: 5.0000025.00000
meat products: 2.0000010.00000
milk products: 7.0000035.00000
nut products: --
other grains: 5.0000025.00000
poultry: 2.0000010.00000
processed fruits: 7.0000035.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 5.0000025.00000
snack foods: 10.0000050.00000
soft candy: --
soups: 5.0000025.00000
sugar substitutes: --
sweet sauces: 5.0000025.00000
 
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): 5.7000012.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 1.5000014.25000
Edible ices, including sherbet and sorbet (03.0): 0.900002.98000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 5.000005.03000
Confectionery (05.0): 5.5000014.46000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 4.8000011.55000
Bakery wares (07.0): 8.0000019.07000
Meat and meat products, including poultry and game (08.0): 0.900002.98000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.900002.98000
Eggs and egg products (10.0): 0.900002.98000
Sweeteners, including honey (11.0): 0.900002.98000
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.000005.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.000004.43000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000002.00000
Ready-to-eat savouries (15.0): 2.500004.50000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.900002.98000
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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):
EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 20474-93-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 227240
National Institute of Allergy and Infectious Diseases: Data
 prop-2-enyl but-2-enoate
Chemidplus: 0020474935
 prop-2-enyl (E)-but-2-enoate
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References:
 prop-2-enyl but-2-enoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 20474-93-5
Pubchem (cid): 227240
Pubchem (sid): 135263315
 prop-2-enyl (E)-but-2-enoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5453-44-1
Pubchem (cid): 5354763
Pubchem (cas): 5453-44-1
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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): HMDB32067
FooDB: FDB008776
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 filbert roasted filbert
Search Trop  Picture
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Synonyms:
 allyl (2E)-but-2-enoate
 allyl (E)-2-butenoate
 allyl 2-butenoate
 allyl beta-methyl acrylate
2-butenoic acid 2-propenyl ester
2-butenoic acid, 2-propen-1-yl ester, (2E)-
 crotonic acid allyl ester
 prop-2-enyl (2E)but-2-enoate
 prop-2-enyl (E)-but-2-enoate
 prop-2-enyl but-2-enoate
2-propen-1-yl 2-butenoate
2-propenyl 2-butenoate
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