trans-1-ethyl-2-methyl propyl 2-butenoate
but-2-enoic acid (E)-1-ethyl-2-methylpropyl ester
 
Notes:
None found
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CAS Number: 1370711-06-0Picture of molecule3D/inchi
FDA UNII: VIA9EBA02X
XlogP3-AA: 3.20 (est)
Molecular Weight: 170.25186000
Formula: C10 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Pubchem Patents: Search
FEMA Number: 4818  trans-1-ethyl-2-methylpropyl 2-butenoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 65.00 °C. @ 0.60 mm Hg
Soluble in:
 water, 69.56 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
 fruity  woody  sugar  sweet  fresh  
Odor Description:
at 10.00 % in dipropylene glycol. 
very powerful and complex with unique fruity and woody combination. Toppy and rich with sugary feel, sweet, and fresh
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
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: 28
Click here to view publication 28
 average usual ppmaverage maximum ppm
baked goods: 0.400004.00000
beverages(nonalcoholic): 0.200002.00000
beverages(alcoholic): 0.200002.00000
breakfast cereal: 0.400004.00000
cheese: 0.100000.50000
chewing gum: 0.500005.00000
condiments / relishes: --
confectionery froastings: 0.400004.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.500005.00000
fruit ices: 0.200002.00000
gelatins / puddings: 0.200002.00000
granulated sugar: --
gravies: --
hard candy: 0.400004.00000
imitation dairy: --
instant coffee / tea: 0.100001.00000
jams / jellies: 1.000005.00000
meat products: --
milk products: 0.200002.00000
nut products: --
other grains: --
poultry: --
processed fruits: 0.400004.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.200002.00000
snack foods: 0.200002.00000
soft candy: 0.400004.00000
soups: --
sugar substitutes: --
sweet sauces: 0.200002.00000
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 1370711-06-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 90266236
National Institute of Allergy and Infectious Diseases: Data
 2-methylpentan-3-yl (E)-but-2-enoate
Chemidplus: 1370711060
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References:
 2-methylpentan-3-yl (E)-but-2-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 90266236
Pubchem (cas): 1370711-06-0
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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
HMDB (The Human Metabolome Database): Search
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Potential Blenders and core components note
 
For Odor
balsamic
isobornyl propionateFL/FR
 fir carboxylateFR
scotch pine wood/needles resinoidFR
 tolu balsam replacerFR
berry
 raspberry ketone methyl etherFL/FR
earthy
 orris specialtyFR
fatty
 hexyl pivalateFR
floral
 anise indeneFR
 benzaldehyde propylene glycol acetalFL/FR
 boronia absoluteFL/FR
 boronia absolute replacerFL/FR
 boronia fragranceFR
 bursera graveolens wood oilFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 ionone mixed isomersFL/FR
 linalyl propionateFL/FR
N-methyl iononeFR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
 orris fragranceFR
fruity
 brandy extractFL/FR
 buchu wood specialtyFL/FR
1-(3,3-dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehydeFR
1,4-dimethyl bicyclo(3.2.1)oct-3-yl acetateFR
1,2-dimethyl butyl 2-butenoateFR
1-ethyl-2-methyl propyl chrysanthemumate 
1-ethyl-2-methyl propyl tiglate 
 geranyl acetoacetateFL/FR
 green acetateFR
 heptyl isovalerateFL/FR
alpha-ionyl ethyl ether 
 methyl (Z)-5-octenoateFL/FR
 octyl propionateFL/FR
2-pentanoneFL/FR
 perillyl acetateFL/FR
 pineapple hydroxyhexanoateFL/FR
1,3,3,5-tetramethyl-7 and 8-acetyl bicyclo(2.2.2)oct-5-ene 
1,3,3,5-tetramethyl-7 and 8-cyanobicyclo(2.2.2)octane 
herbal
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
 bursera graveolens wood 
 herbal specialtyFR
 herbal undecanoneFR
 methyl cyclogeranate (Firmenich)FR
beta-sesquiphellandrene 
 tricyclodecenyl propionateFR
spicy
 clove bud absoluteFL/FR
 clove bud oilFL/FR
 clove bud oil replacerFR
 clove fragranceFR
N,N-diethyl octanamideFR
 green oxaneFR
 pepper tree berry oil CO2 extractFL/FR
waxy
 orris rhizome oil CO2 extractFL/FR
woody
 melozol acetateFR
 myrtenyl isobutyrate 
2-N-propoxy-3(5)-methyl pyrazine 
 spicy pentanoneFL/FR
1-(5',5',6'-trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-oneFR
 
For Flavor
 
No flavor group found for these
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
 boronia absolute replacerFL/FR
 buchu wood specialtyFL/FR
 bursera graveolens wood 
 bursera graveolens wood oilFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
1-ethyl-2-methyl propyl tiglate 
 heptyl isovalerateFL/FR
 ionone mixed isomersFL/FR
alpha-ionyl ethyl ether 
 myrtenyl isobutyrate 
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
beta-sesquiphellandrene 
2-N-propoxy-3(5)-methyl pyrazine 
1,3,3,5-tetramethyl-7 and 8-acetyl bicyclo(2.2.2)oct-5-ene 
1,3,3,5-tetramethyl-7 and 8-cyanobicyclo(2.2.2)octane 
balsamic
isobornyl propionateFL/FR
berry
 perillyl acetateFL/FR
 raspberry ketone methyl etherFL/FR
dairy
 methyl (Z)-5-octenoateFL/FR
estery
 octyl propionateFL/FR
fruity
 benzaldehyde propylene glycol acetalFL/FR
 boronia absoluteFL/FR
 brandy extractFL/FR
2-pentanoneFL/FR
 pineapple hydroxyhexanoateFL/FR
 spicy pentanoneFL/FR
herbal
 linalyl propionateFL/FR
musty
 geranyl acetoacetateFL/FR
spicy
 clove bud absoluteFL/FR
 clove bud oilFL/FR
 pepper tree berry oil CO2 extractFL/FR
woody
 orris rhizome oil CO2 extractFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 but-2-enoic acid (E)-1-ethyl-2-methyl propyl ester
 but-2-enoic acid (E)-1-ethyl-2-methylpropyl ester
2-butenoic acid, 1-ethyl-2-methylpropyl ester, (2E)-
1-ethyl-2-methylpropyl (2E)-2-butenoic acid ester
trans-1-ethyl-2-methylpropyl 2-butenoate
2-methylpentan-3-yl (E)-but-2-enoate
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