ethyl (Z)-3-hexenoate
ethyl cis-3-hexenoate
 
Notes:
Used as a food additive [EAFUS]
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Constantly Improving
      Working closely with our customers to meet their requirements.
      Paul Bedoukian founded the company to fill a niche as a supplier of high quality specialty aroma and flavor ingredients. In 1975 the company began manufacturing insect pheromones which are chemically similar to flavor and fragrance ingredients. Today, Bedoukian Research offers more than 450 Aroma Chemicals and 50 Insect Pheromones, while also providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries.
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      Product(s):
      372NAT ETHYL CIS-3-HEXENOATE (NATURAL) ≥98.0%, Kosher
      Use for rind or green notes in fruity applications.
      Use in strawberry or in tropicals such as carambola/star fruit, pineapple, fruit punch, rind notes, kiwi, brandy/cognac or wine.
       
       
  • BOC Sciences
    • BOC Sciences
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      Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds.
      BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services.
      BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
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      Product(s):
      64187-83-3 Ethyl (Z)hex-3-enoate
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      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):
      05-38300 ETHYL CIS-3-HEXENOATE
      05-38310 ETHYL CIS-3-HEXENOATE NATURAL
       
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CAS Number: 64187-83-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 264-724-0
FDA UNII: R35DY1229O
Nikkaji Web: J126.494J
XlogP3-AA: 1.90 (est)
Molecular Weight: 142.19798000
Formula: C8 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance 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: 1626  ethyl (Z)-3-hexenoate
FLAVIS Number: 09.939 (Old)
DG SANTE Food Flavourings: 09.939  ethyl (3Z)-hexenoate
FEMA Number: 4112  ethyl cis-3-hexenoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):64187-83-3 ; ETHYL CIS-3-HEXENOATE
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.89300 to 0.90300 @  25.00 °C.
Pounds per Gallon - (est).: 7.431 to  7.514
Refractive Index: 1.42000 to 1.42900 @  20.00 °C.
Boiling Point: 90.00 °C. @ 50.00 mm Hg
Boiling Point: 169.00 to  170.00 °C. @ 760.00 mm Hg
Vapor Pressure: 1.553000 mmHg @ 25.00 °C. (est)
Vapor Density: >1 ( Air = 1 )
Flash Point: 130.00 °F. TCC ( 54.44 °C. )
logP (o/w): 2.590 (est)
Shelf Life: 36.00 month(s) or longer if stored properly.
Soluble in:
 alcohol
 water, slightly
 water, 480.5 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: tropical
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
 green  pear  apple  tropical  
Odor Description:
at 10.00 % in dipropylene glycol. 
green pear apple tropical
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
ETHYL CIS-3-HEXENOATE (NATURAL) ≥98.0%, Kosher
Odor Description: Sharp, pear, green, apple, tropical, good for rind notes, pineapple
Use for rind or green notes in fruity applications.
Taste Description: green
Use in strawberry or in tropicals such as carambola/star fruit, pineapple, fruit punch, rind notes, kiwi, brandy/cognac or wine.
 
 
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Cosmetic Information:
None found
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Suppliers:
Bedoukian Research
ETHYL CIS-3-HEXENOATE (NATURAL)
≥98.0%, Kosher
Odor: Sharp, pear, green, apple, tropical, good for rind notes, pineapple
Use: Use for rind or green notes in fruity applications.
Flavor: green
Use in strawberry or in tropicals such as carambola/star fruit, pineapple, fruit punch, rind notes, kiwi, brandy/cognac or wine.
BOC Sciences
For experimental / research use only.
Ethyl (Z)hex-3-enoate
Parchem
ethyl (Z)-3-hexenoate
Penta International
ETHYL CIS-3-HEXENOATE NATURAL
Penta International
ETHYL CIS-3-HEXENOATE
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24 - Avoid contact with skin.
S 36 - Wear suitable protective clothing.
 
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
Recommendation for ethyl (Z)-3-hexenoate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 120.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 800 (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: 22
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 5.0000020.00000
beverages(nonalcoholic): 2.0000010.00000
beverages(alcoholic): 5.0000020.00000
breakfast cereal: 2.0000010.00000
cheese: --
chewing gum: 5.0000025.00000
condiments / relishes: 2.0000020.00000
confectionery froastings: 5.0000025.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 5.0000020.00000
fruit ices: 5.0000020.00000
gelatins / puddings: 5.0000020.00000
granulated sugar: --
gravies: --
hard candy: 10.0000040.00000
imitation dairy: 2.0000010.00000
instant coffee / tea: 2.0000010.00000
jams / jellies: 5.0000025.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: 1.0000010.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 25.00000100.00000
snack foods: --
soft candy: 10.0000040.00000
soups: --
sugar substitutes: --
sweet sauces: 2.0000010.00000
 
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): 0.020000.40000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200000.40000
Edible ices, including sherbet and sorbet (03.0): 0.200004.00000
Processed fruit (04.1): 0.020000.40000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.020000.40000
Confectionery (05.0): 2.0000040.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.400008.00000
Bakery wares (07.0): 0.200004.00000
Meat and meat products, including poultry and game (08.0): 0.020000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.020000.40000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.020000.40000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000040.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 2.0000040.00000
Ready-to-eat savouries (15.0): 0.020000.40000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.020000.40000
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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):
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
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 : 5362623
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 3272
WGK Germany: 2
 ethyl (Z)-hex-3-enoate
Chemidplus: 0064187833
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References:
 ethyl (Z)-hex-3-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5362623
Pubchem (sid): 135073259
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 Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32266
FooDB: FDB009389
Export Tariff Code: 2916.19.6000
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
2-ethyl-N-methyl-N-(3-methyl phenyl) butyramideFR
chemical
 propyl propionateFL/FR
fatty
 allyl octanoateFL/FR
floral
 cassis specialtyFR
 citronellyl butyrateFL/FR
 cyclamen homoaldehydeFR
 dimethyl benzyl carbinyl acetateFL/FR
 gardenia absoluteFR
 gardenia fragranceFR
 gardenia specialtyFR
 greenhouse fragranceFR
 hexyl 2-furoateFL/FR
calla lily fragranceFR
 lily propanolFR
 petitgrain oil fractionsFR
 phenethyl butyrateFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 amyl acetateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
 apple crotonateFR
 apple ketalFL/FR
 apple pear fragranceFR
 banana fragranceFR
isobutyl hexanoateFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 citronellyl isobutyrateFL/FR
 cyclohexyl carboxylic acidFL/FR
 diethyl malonateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 grape butyrateFL/FR
 green acetateFR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 lychee fragranceFR
 mango fragranceFR
 mango specialtyFR
 methyl 2-methyl butyrateFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl butyrateFL/FR
2-methyl butyl isovalerateFL/FR
 methyl octadienoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl 2,4-decadienoateFL/FR
 propyl heptanoateFL/FR
 propyl hexanoateFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 green note propionateFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl angelateFR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl isobutyrateFL/FR
 methyl (E)-3-hexenoateFL/FR
3-octyl formateFL/FR
 phenoxyethyl isobutyrateFL/FR
 sorbyl isobutyrateFL/FR
(E,E)-sorbyl isobutyrateFL/FR
herbal
2-pentyl acetateFL/FR
melon
(Z)-6-nonen-1-yl acetateFL/FR
spicy
 cinnamyl isovalerateFL/FR
sulfurous
 mango thiolFL/FR
(S)-1-methoxy-3-heptane thiolFL/FR
tropical
2-tropical oxathianeFL/FR
waxy
(E)-2-tridecen-1-yl acetateFL/FR
 
For Flavor
 
No flavor group found for these
 acetoneFL
9-decen-2-oneFL
(Z)-3-hepten-1-yl acetateFL/FR
2-hexenal diethyl acetalFL
 hexyl propionateFL/FR
 methyl octadienoateFL/FR
(E,E)-sorbyl isobutyrateFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
2-tropical oxathianeFL/FR
 sorbyl isobutyrateFL/FR
berry
(S)-1-methoxy-3-heptane thiolFL/FR
dairy
2-pentyl acetateFL/FR
estery
 ethyl acetoacetateFL/FR
ethereal
4-hexen-3-oneFL
fatty
 allyl octanoateFL/FR
floral
 dimethyl benzyl carbinyl acetateFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 amyl acetateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
 apple ketalFL/FR
isobutyl hexanoateFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cinnamyl isovalerateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
 cyclohexyl carboxylic acidFL/FR
 diethyl malonateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-hexenoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-methyl butyrateFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl butyrateFL/FR
2-methyl butyl isovalerateFL/FR
(Z)-3-nonen-1-yl acetateFL
 phenethyl butyrateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl hexanoateFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 grape butyrateFL/FR
 green note propionateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl (E)-tiglateFL/FR
 hexyl 2-furoateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 methyl (E)-3-hexenoateFL/FR
4-methyl-2-pentenalFL
(Z)-6-nonen-1-yl acetateFL/FR
 phenoxyethyl isobutyrateFL/FR
melon
 propyl 2,4-decadienoateFL/FR
sulfurous
 mango thiolFL/FR
 methyl 2-(methyl thio) butyrateFL
tropical
 propyl propionateFL/FR
waxy
3-octyl formateFL/FR
 propyl heptanoateFL/FR
 
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Potential Uses:
 fruitFR
 greenFR
 tropicalFL
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Occurrence (nature, food, other): note
 acerola fruit
Search Trop  Picture
 brandy grape brandy
Search  PMC Picture
 guava fruit
Search Trop  Picture
 mango fruit
Search Trop  Picture
 mastic leaf oil @ 0.07%
Data  GC  Search Trop  Picture
 passion fruit juice - up to 0.15 mg/kg
Search Trop  Picture
 pear fruit
Search Trop  Picture
 pineapple fruit
Search Trop  Picture
 strawberry guava fruit
Search Trop  Picture
 tea leaf
Search Trop  Picture
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Synonyms:
 ethyl (3Z)-3-hexenoate
 ethyl (3Z)-hex-3-enoate
 ethyl (3Z)-hexenoate
 ethyl (Z)-hex-3-enoate
 ethyl cis-3-hexenoate
 ethyl cis-3-hexenoate (natural)
 ethyl cis-3-hexenoate natural
cis-hex-3-enoic acid ethyl ester
3-hexenoic acid, ethyl ester, (3Z)-
3-hexenoic acid, ethyl ester, (Z)-
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