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ethyl 3-octenoate
3-octenoic acid, ethylester

Sponsors

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: ETHYL 3-OCTENOATE
 
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
 
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
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
3-Octenoic acid, ethylester
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
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
 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
 
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
 
References:
 ethyl oct-3-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):161528
Pubchem (sid):135319469
Pherobase:View
 
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
 
Potential Blenders and core components note
For Odor
acidic
2-
ethyl butyric acid
FL/FR
caramellic
maltyl isobutyrate
FL/FR
citrus
grapefruit mercaptan
FL/FR
coconut
delta-
octalactone
FL/FR
ethereal
iso
propyl formate
FL/FR
fatty
allyl octanoate
FL/FR
floral
benzyl isobutyrate
FL/FR
citronellyl acetate
FL/FR
geranyl propionate
FL/FR
beta-
ocimene
FL/FR
phenethyl acetate
FL/FR
rose butanoate
FL/FR
fruity
allyl butyrate
FL/FR
allyl hexanoate
FL/FR
allyl propionate
FL/FR
amyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl propionate
FL/FR
berry pentadienoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl valerate
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 2-octenoate
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl nonanoate
FL/FR
plum crotonate
FR
iso
propyl 2-methyl butyrate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
tropical trithiane
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
1-
penten-3-ol
FL/FR
terpinyl propionate
FL/FR
herbal
jambu oleoresin
FL/FR
viridiflorol
FL/FR
phenolic
2'-
hydroxyacetophenone
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
grapefruit menthane
FL/FR
lychee mercaptan acetate
FL/FR
mango thiol
FL/FR
passiflora acetate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
genet absolute
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hotrienol
FL/FR
tropical 3-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
waxy
ethyl nonanoate
FL/FR
nonyl acetate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
iso
amyl 3-methyl thiopropionate
FL
S-(
methyl thio) hexanoate
FL
1-
phenethyl mercaptan
FL
S-
tropical 2-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
viridiflorol
FL/FR
acidic
acidic
2-
ethyl butyric acid
FL/FR
alliaceous
allyl propionate
FL/FR
dipropyl trisulfide
FL
tropical thiazole
FL/FR
citrus
grapefruit mercaptan
FL/FR
coconut
delta-
octalactone
FL/FR
cooling
jambu oleoresin
FL/FR
fatty
allyl octanoate
FL/FR
floral
citronellyl acetate
FL/FR
hotrienol
FL/FR
tropical ionone
FL/FR
fruity
allyl hexanoate
FL/FR
amyl butyrate
FL/FR
iso
amyl propionate
FL/FR
benzyl isobutyrate
FL/FR
berry pentadienoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl valerate
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 2-octenoate
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
3-
mercaptohexyl hexanoate
FL
methyl 2-methyl valerate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl formate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
rose butanoate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical trithiane
FL/FR
green
allyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
cassis pentanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
beta-
ocimene
FL/FR
1-
penten-3-ol
FL/FR
terpinyl propionate
FL/FR
hay
genet absolute
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
meaty
3-
mercapto-2-butanone
FL
naphthyl
2'-
hydroxyacetophenone
FL/FR
oily
tetrahydrofurfuryl propionate
FL
sulfurous
buchu mercaptan
FL/FR
grapefruit menthane
FL/FR
mango thiol
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
3-
mercaptohexyl acetate
FL/FR
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
ethyl nonanoate
FL/FR
geranyl propionate
FL/FR
nonyl acetate
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
 fruity
FLtropical
 
Occurrence (nature, food, other):note
 astrocarium vulgare mart.
Search Trop Picture
 bactris gasipaes
Search Trop Picture
 
Synonyms:
 ethyl oct-3-enoate
3-octenoic acid, ethyl ester
3-octenoic acid, ethylester
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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