ethyl 3-octenoate
3-octenoic acid, ethylester
 
Notes:
None found
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ethyl oct-3-enoate (Click)
CAS Number: 1117-65-3Picture of molecule
FDA UNII: 4V58V0404F
CoE Number: 10618
XlogP3-AA: 3.40 (est)
Molecular Weight: 170.25186000
Formula: C10 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: ethyl (E)-3-octenoate 60.00% to 90.00%
 ethyl (Z)-3-octenoate 10.00% to 40.00%
EFSA/JECFA Comments: Mixture of (Z)- and (E)- isomers (EFFA, 2010a). Composition of stereoisomeric mixture to be specified. Mixture of (Z)- and (E)-isomers (EFFA, 2010), 60-90 % E-form and 10-40 % Z-form (EFFA, 2013a).
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
IBM Patents: Obtain
Pubchem Patents: Search
JECFA Food Flavoring: 1632  ethyl 3-octenoate
Flavis Number: 09.377 (Old)
DG SANTE Food Flavourings: 09.377  ethyl oct-3-enoate
FEMA Number: 4361  ethyl 3-octenoate
FDA Mainterm: ETHYL 3-OCTENOATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.90300 to 0.91000 @  25.00 °C.
Pounds per Gallon - (est).: 7.514 to  7.572
Refractive Index: 1.43100 to 1.43900 @  20.00 °C.
Boiling Point: 65.00 to  70.00 °C. @ 1.00 mm Hg
Boiling Point: 215.00 to  216.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.146000 mm/Hg @ 25.00 °C. (est)
Flash Point: 198.00 °F. TCC ( 92.22 °C. )
logP (o/w): 3.844 (est)
Soluble in:
 alcohol
 water, 52.1 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 tropical  fruity  
Odor Description:
at 10.00 % in dipropylene glycol. 
tropical fruity
  
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
3-Octenoic acid, ethylester
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: flavoring agents
Recommendation for ethyl 3-octenoate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.35 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/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: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.300001.50000
beverages(alcoholic): 0.500002.50000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 0.500002.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 1.500007.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 0.800004.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 0.50000-
soups: --
sugar substitutes: --
sweet sauces: --
 
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): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
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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):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf
Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 06, Revision 2 (FGE.06Rev2): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 06, Revision 3 (FGE.06Rev3): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 06, Revision 4 (FGE.06Rev4): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids and esters from chemical groups 1, 3 and 4
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 161528
National Institute of Allergy and Infectious Diseases: Data
 ethyl oct-3-enoate
Chemidplus: 0001117653
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References:
 ethyl oct-3-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 161528
Pubchem (sid): 135319469
Pherobase: View
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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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB32275
FooDB: FDB009404
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
acidic
2-ethyl butyric acidFL/FR
caramellic
 maltyl isobutyrateFL/FR
citrus
 grapefruit mercaptanFL/FR
coconut
delta-octalactoneFL/FR
ethereal
isopropyl formateFL/FR
fatty
 allyl octanoateFL/FR
floral
 benzyl isobutyrateFL/FR
 citronellyl acetateFL/FR
 geranyl propionateFL/FR
beta-ocimeneFL/FR
 phenethyl acetateFL/FR
 rose butanoateFL/FR
fruity
 allyl butyrateFL/FR
 allyl hexanoateFL/FR
 allyl propionateFL/FR
 amyl butyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl propionateFL/FR
 berry pentadienoateFL/FR
isobutyl isobutyrateFL/FR
 butyl valerateFL/FR
 cyclohexyl carboxylic acidFL/FR
 ethyl 2-octenoateFL/FR
 geranyl methyl tiglate 
3-mercaptohexyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl nonanoateFL/FR
 plum crotonateFR
isopropyl 2-methyl butyrateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
1-penten-3-olFL/FR
 terpinyl propionateFL/FR
herbal
 jambu oleoresinFL/FR
 viridiflorolFL/FR
phenolic
2'-hydroxyacetophenoneFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 grapefruit menthaneFL/FR
 lychee mercaptan acetateFL/FR
 mango thiolFL/FR
 passiflora acetateFL/FR
S-tropical 2-thiobutyrateFL/FR
terpenic
gamma-terpineneFL/FR
tropical
 genet absoluteFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 hotrienolFL/FR
 tropical 3-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
waxy
 ethyl nonanoateFL/FR
 nonyl acetateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
isoamyl 3-methyl thiopropionateFL
S-(methyl thio) hexanoateFL
1-phenethyl mercaptanFL
S-tropical 2-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
 viridiflorolFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
acidic
2-ethyl butyric acidFL/FR
alliaceous
 allyl propionateFL/FR
 dipropyl trisulfideFL
 tropical thiazoleFL/FR
caramellic
 maltyl isobutyrateFL/FR
citrus
 grapefruit mercaptanFL/FR
coconut
delta-octalactoneFL/FR
cooling
 jambu oleoresinFL/FR
fatty
 allyl octanoateFL/FR
floral
 citronellyl acetateFL/FR
 hotrienolFL/FR
 tropical iononeFL/FR
fruity
 allyl hexanoateFL/FR
 amyl butyrateFL/FR
isoamyl propionateFL/FR
 benzyl isobutyrateFL/FR
 berry pentadienoateFL/FR
isobutyl isobutyrateFL/FR
 butyl valerateFL/FR
 cyclohexyl carboxylic acidFL/FR
 ethyl 2-octenoateFL/FR
 geranyl methyl tiglate 
3-mercaptohexyl hexanoateFL
 methyl 2-methyl valerateFL/FR
isopropyl 2-methyl butyrateFL/FR
isopropyl formateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 rose butanoateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical trithianeFL/FR
green
 allyl butyrateFL/FR
isoamyl isovalerateFL/FR
 cassis pentanoneFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
beta-ocimeneFL/FR
1-penten-3-olFL/FR
 terpinyl propionateFL/FR
hay
 genet absoluteFL/FR
honey
 phenethyl acetateFL/FR
juicy
 ethyl (E,Z)-2,4-decadienoateFL/FR
 lychee mercaptan acetateFL/FR
meaty
3-mercapto-2-butanoneFL
naphthyl
2'-hydroxyacetophenoneFL/FR
oily
 tetrahydrofurfuryl propionateFL
sulfurous
 buchu mercaptanFL/FR
 grapefruit menthaneFL/FR
 mango thiolFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
terpenic
gamma-terpineneFL/FR
tropical
3-mercaptohexyl acetateFL/FR
3-mercaptohexyl butyrateFL
 passiflora acetateFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
 ethyl nonanoateFL/FR
 geranyl propionateFL/FR
 nonyl acetateFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
 fruity 
 tropicalFL
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Natural Occurrence in: note
 astrocarium vulgare mart.
GRIN Trop Picture
 bactris gasipaes
GRIN Trop Picture
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Synonyms:
 ethyl oct-3-enoate
3-octenoic acid, ethyl ester
3-octenoic acid, ethylester
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Articles:
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