ethyl 3-octenoate
3-octenoic acid, ethylester
 
Notes:
Used as a food additive [EAFUS]
Synonyms   Articles   Notes   Search
CAS Number: 1117-65-3Picture of molecule3D/inchi
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
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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):1117-65-3 ; ETHYL 3-OCTENOATE
Synonyms   Articles   Notes   Search   Top
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 mmHg @ 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
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
 tropical  fruity  winey  
Odor Description:
at 10.00 % in dipropylene glycol. 
tropical fruity winey
 
Odor and/or flavor descriptions from others (if found).
 
 
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
References:
 ethyl oct-3-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 161528
Pubchem (sid): 135319469
Pherobase: View
Synonyms   Articles   Notes   Search   Top
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 Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32275
FooDB: FDB009404
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
acidic
2-ethyl butyric acidFL/FR
balsamic
isopropyl cinnamateFL/FR
caramellic
 maltyl isobutyrateFL/FR
 strawberry furanone acetateFL/FR
chemical
 propyl propionateFL/FR
citrus
 grapefruit mercaptanFL/FR
coconut
delta-octalactoneFL/FR
ethereal
isopropyl formateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
 allyl octanoateFL/FR
floral
para-anisyl butyrateFL/FR
 benzyl isobutyrateFL/FR
 citronellyl acetateFL/FR
black currant bud concreteFL/FR
 geranyl propionateFL/FR
alpha-iononeFL/FR
beta-ocimeneFL/FR
 phenethyl acetateFL/FR
 phenethyl butyrateFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
 rose butanoateFL/FR
 styralyl isobutyrateFL/FR
fruity
 allyl butyrateFL/FR
 allyl cyclohexyl propionateFL/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 (Z)-4-heptenoateFL/FR
 ethyl 2-octenoateFL/FR
 geranyl methyl tiglate 
 heptyl butyrateFL/FR
3-mercaptohexyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl nonanoateFL/FR
 neocaspireneFL/FR
 plum crotonateFR
isopropyl 2-methyl butyrateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 strawberry furanone butyrateFL/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 (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl hexanoateFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
 terpinyl propionateFL/FR
 jambu oleoresinFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 viridiflorolFL/FR
phenolic
2'-hydroxyacetophenoneFL/FR
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 grapefruit menthaneFL/FR
 lychee mercaptan acetateFL/FR
 mango thiolFL/FR
 passiflora acetateFL/FR
1-phenethyl mercaptanFL/FR
S-tropical 2-thiobutyrateFL/FR
4-tropical oxathianeFL/FR
terpenic
gamma-terpineneFL/FR
tropical
cis-galbanum oxathianeFL/FR
 genet absoluteFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 hotrienolFL/FR
3-nonen-4-olideFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/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-(2,5-dimethyl-3-furyl) ethane thioateFL
 ethyl 2-(methyl thio) acetateFL
 methyl 2-(methyl thio) acetateFL
S-(methyl thio) hexanoateFL
(E)-6-methyl-3-hepten-2-oneFL/FR
 neocaspireneFL/FR
3-nonen-4-olideFL/FR
1-phenethyl mercaptanFL/FR
S-prenyl thioisobutyrateFL
S-prenyl thioisovalerateFL
 sorbyl propionateFL
 styralyl isobutyrateFL/FR
S-tropical 2-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
 viridiflorolFL/FR
 allyl thiohexanoateFL
acidic
2-ethyl butyric acidFL/FR
alliaceous
 allyl propionateFL/FR
 dipropyl trisulfideFL
 tropical thiazoleFL/FR
anisic
para-anisyl butyrateFL/FR
balsamic
isopropyl cinnamateFL/FR
caramellic
 strawberry furanone acetateFL/FR
cheesy
 methyl ketonesFL
citrus
 grapefruit mercaptanFL/FR
coconut
delta-octalactoneFL/FR
cooling
 jambu oleoresinFL/FR
creamy
 triacetinFL
fatty
 allyl octanoateFL/FR
floral
 citronellyl acetateFL/FR
 hotrienolFL/FR
alpha-iononeFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
 tropical iononeFL/FR
fruity
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
 amyl butyrateFL/FR
isoamyl propionateFL/FR
 benzyl isobutyrateFL/FR
 berry pentadienoateFL/FR
isobutyl isobutyrateFL/FR
 butyl valerateFL/FR
black currant bud concreteFL/FR
 cyclohexyl carboxylic acidFL/FR
 ethyl (Z)-4-heptenoateFL/FR
 ethyl 2-octenoateFL/FR
 geranyl methyl tiglate 
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 hexyl hexanoateFL/FR
3-mercaptohexyl hexanoateFL
 methyl 2-methyl valerateFL/FR
 passion fruit distillatesFL
 phenethyl butyrateFL/FR
isopropyl 2-methyl butyrateFL/FR
isopropyl formateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 rose butanoateFL/FR
 strawberry furanone butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
4-tropical oxathianeFL/FR
 tropical trithianeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
 allyl butyrateFL/FR
isoamyl isovalerateFL/FR
 cassis pentanoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
cis-galbanum oxathianeFL/FR
 heptanal dimethyl acetalFL/FR
 heptyl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
beta-ocimeneFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
 terpinyl propionateFL/FR
hay
 genet absoluteFL/FR
herbal
 buchu oil fractionsFL
honey
 phenethyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
juicy
 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
 anacardium occidentale fruit pureeFL
3-mercaptohexyl acetateFL/FR
3-mercaptohexyl butyrateFL
 passiflora acetateFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
 propyl propionateFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
 ethyl nonanoateFL/FR
 geranyl propionateFL/FR
 nonyl acetateFL/FR
winey
 methyl nonanoateFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 fruity 
 tropicalFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 astrocarium vulgare mart.
Search Trop  Picture
 bactris gasipaes
Search Trop  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
 ethyl oct-3-enoate
3-octenoic acid, ethyl ester
3-octenoic acid, ethylester
Synonyms   Articles   Notes   Search   Top
Articles:
 None found yet.
Synonyms   Articles   Notes   Search   Top
Please share your Comments.
Email Address:
 
 
 
 
Top of Page Home
Copyright © 1980-2020 Perflavory ™ Disclaimer Privacy Policy