ethyl (Z)-4-heptenoate
ethyl cis-4-heptenoate

Sponsors

Name: ethyl (Z)-hept-4-enoate
CAS Number: 39924-27-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 254-702-9
FDA UNII: 27Y1FYY1BV
Nikkaji Web: J2.214.284D
XlogP: 2.70 (est)
Molecular Weight: 156.22492000
Formula: C9 H16 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments:
CAS refer to Z-isomer. According to JECFA: Min. assay value is "98 % (total isomers)". According to EFFA: “Min. assay value is "98 % main isomer (Zform). E-form less than 2 %".
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: 1281 ethyl cis-4-heptenoate
Flavis Number: 09.922 (Old)
DG SANTE Food Flavourings: 09.922 (4Z)-ethylheptenoate
FEMA Number: 3975 ethyl cis-4-heptenoate
FDA Mainterm: ETHYL 4-HEPTENOATE, CIS-
 
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.88700 to 0.89700 25.00 °C.
Pounds per Gallon - (est).: 7.381 to 7.464
Refractive Index: 1.42800 to 1.43100 @ 20.00 °C.
Boiling Point: 52.00 °C. @ 3.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 1.240000 mm/Hg @ 25.00 °C. (est)
Flash Point: 135.00 °F. TCC ( 57.22 °C. )
logP (o/w): 2.896 (est)
Soluble in:
 alcohol
 water, 158.9 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium
 green apple green apple fruity tropical grape skin papaya passion fruit pineapple
Odor Description:
at 100.00 %.
green green apple fruity tropical grape skin papaya passion fruit pineapple
Flavor Type: fruity
 fruity passion fruit green tropical apple mango vegetable
Taste Description:
fruity passion fruit green tropical apple mango vegetable
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Apiscent Labs
ETHYL C4 HEPTENOATE
Odor: Pungent green apple or vegetable with sweet or musty tones
BOC Sciences
For experimental / research use only.
Ethyl-cis-4-heptanoate
FCI SAS
ETHYL CIS-4-HEPTENOATE
Odor: Pungent, green apple or vegetable with sweet or musty tones
Flavor: Bitter green apple or vegetable
Parchem
ethyl (Z)-4-heptenoate
Penta International
ETHYL CIS-4-HEPTENOATE, Kosher
 
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: flavor and fragrance agents
Recommendation for ethyl (Z)-4-heptenoate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 4.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (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: 20
 average usual ppmaverage maximum ppm
baked goods: 15.0000030.00000
beverages(nonalcoholic): 8.0000012.00000
beverages(alcoholic): 8.0000012.00000
breakfast cereal: --
cheese: --
chewing gum: 40.0000080.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 10.0000015.00000
fruit ices: 8.0000012.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 12.0000020.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 10.0000015.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
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 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
Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008)
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5362816
National Institute of Allergy and Infectious Diseases: Data
 ethyl (Z)-hept-4-enoate
Chemidplus: 0039924271
 
References:
 ethyl (Z)-hept-4-enoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 39924-27-1
Pubchem (cid): 5362816
Pubchem (sid): 135065001
 
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): HMDB32265
FooDB: FDB009388
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
 
Potential Blenders and core components note
For Odor
No odor group found for these
propyl 2-methyl butyrate
FL/FR
alcoholic
alcoholic
sec-
hexyl alcohol
FL/FR
aldehydic
iso
butyraldehyde
FL/FR
amber
labdanum absolute
FL/FR
balsamic
iso
amyl benzoate
FL/FR
iso
propyl cinnamate
FL/FR
caramellic
strawberry furanone acetate
FL/FR
chemical
propyl propionate
FL/FR
ethereal
iso
propyl formate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
3-
decen-2-one
FL/FR
5-
methyl-5-hexen-2-one
FL/FR
fermented
hexanal diethyl acetal
FL/FR
floral
acetal 318
FR
para-
anisyl butyrate
FL/FR
blue lagoon fragrance
FR
cassis specialty
FR
citronellyl valerate
FL/FR
black
currant bud concrete
FL/FR
cyclamen aldehyde
FL/FR
alpha-
damascone
FL/FR
(Z)-alpha-
damascone
FL/FR
gamma-
damascone
FR
ethyl linalyl acetate
FR
iso
eugenyl ethyl acetal
FR
farnesol
FL/FR
gelsone (IFF)
FL/FR
geranyl acetone
FL/FR
alpha-
ionone
FL/FR
beta-
ocimene
FL/FR
(Z)-beta-
ocimene
FL/FR
phenethyl acetate
FL/FR
phenethyl butyrate
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
rose butanoate
FL/FR
styralyl isobutyrate
FL/FR
fruity
acetaldehyde hexyl isoamyl acetal
FL/FR
allyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
neo
caspirene
FL/FR
cyclohexyl butyrate
FL/FR
(E)-alpha-
damascone
FL/FR
diethyl malonate
FL/FR
eriocephalus punctulatus flower oil
FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
ethyl isovalerate
FL/FR
(E)-
ethyl tiglate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl isovalerate
FL/FR
heptyl butyrate
FL/FR
heptyl valerate
FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
hexyl isovalerate
FL/FR
kiwi specialty
FR
lychee fragrance
FR
methyl 2-methyl butyrate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl cyclohexyl acetate
FR
methyl isovalerate
FL/FR
nonyl isovalerate
FL/FR
propyl heptanoate
FL/FR
propyl hexanoate
FL/FR
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
(E,E)-5,6,7,7-
tetramethyl-2,5-octadien-4-one
FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
butyl heptanoate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
galbanum specialty
FR
green note propionate
FL/FR
heptanal dimethyl acetal
FL/FR
3-
heptanone
FL/FR
hexanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal
FL/FR
(E)-2-
hexenal propylene glycol acetal
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl hexanoate
FL/FR
hexyl isobutyrate
FL/FR
marigold pot absolute
FL/FR
marigold pot flower
CS
methyl (E)-3-hexenoate
FL/FR
3-
octyl formate
FL/FR
1-
penten-3-ol
FL/FR
(E)-2-
pentenal
FL/FR
2-
pentenal
FL/FR
phenoxyethyl isobutyrate
FL/FR
propyl tiglate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
linalyl octanoate
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
tagete oil india
FL/FR
viridiflorol
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
spicy
cinnamyl isovalerate
FL/FR
sulfurous
buchu mercaptan
FL/FR
lychee mercaptan acetate
FL/FR
passiflora acetate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
4-
tropical oxathiane
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
3-
nonen-4-olide
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
passion fruit fragrance
FR
pina colada fragrance
FR
triflaige A
FR
tropical 3-thiobutyrate
FL/FR
waxy
ethyl decanoate
FL/FR
woody
lariciu
pine needle oil
FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
acetaldehyde hexyl isoamyl acetal
FL/FR
(E)-
aconitic acid
FL
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
neo
caspirene
FL/FR
citronellyl valerate
FL/FR
cyclohexyl butyrate
FL/FR
(Z)-alpha-
damascone
FL/FR
9-
decen-2-one
FL
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
ethyl 2-(methyl thio) acetate
FL
geranyl 2-methyl butyrate
FL/FR
hexanal diethyl acetal
FL/FR
hexanal dimethyl acetal
FL/FR
2-
hexenal
FL
(E)-3-
hexenal
FL
2-
hexenal diethyl acetal
FL
(E)-2-
hexenal propylene glycol acetal
FL/FR
2-
hexyl acetate
FL
sec-
hexyl alcohol
FL/FR
methyl 2-(methyl thio) acetate
FL
methyl 2-hydroxy-4-methyl valerate
FL
methyl 3-hydroxybutyrate
FL
(E)-6-
methyl-3-hepten-2-one
FL/FR
3-
nonen-4-olide
FL/FR
nonyl isovalerate
FL/FR
2-
pentenal
FL/FR
S-
prenyl thioisobutyrate
FL
S-
prenyl thioisovalerate
FL
propyl 2-methyl butyrate
FL/FR
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
propyl tiglate
FL/FR
sorbyl propionate
FL
styralyl isobutyrate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
viridiflorol
FL/FR
allyl thiohexanoate
FL
iso
amyl 3-(2-furan) propionate
FL/FR
aldehydic
aldehydic
iso
butyraldehyde
FL/FR
amber
labdanum absolute
FL/FR
anisic
para-
anisyl butyrate
FL/FR
balsamic
iso
propyl cinnamate
FL/FR
burnt
furfuryl alcohol
FL
caramellic
strawberry furanone acetate
FL/FR
cheesy
methyl ketones
FL
creamy
triacetin
FL
estery
ethyl acetoacetate
FL/FR
ethereal
5-
methyl-5-hexen-2-one
FL/FR
floral
farnesol
FL/FR
geranyl acetone
FL/FR
alpha-
ionone
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
iso
amyl benzoate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
butyl heptanoate
FL/FR
iso
butyl hexanoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
cinnamyl isovalerate
FL/FR
black
currant bud concrete
FL/FR
(E)-alpha-
damascone
FL/FR
alpha-
damascone
FL/FR
diethyl malonate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl isovalerate
FL/FR
(E)-
ethyl tiglate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
furfuryl propionate
FL
2,4-
hexadien-1-ol
FL
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hexyl acetate
FL/FR
hexyl hexanoate
FL/FR
linalyl octanoate
FL/FR
3-
mercaptohexyl hexanoate
FL
methyl 2-methyl butyrate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl isovalerate
FL/FR
(Z)-3-
nonen-1-yl acetate
FL
passion fruit distillates
FL
phenethyl butyrate
FL/FR
iso
propyl formate
FL/FR
propyl hexanoate
FL/FR
rose butanoate
FL/FR
4-
tropical oxathiane
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
allyl butyrate
FL/FR
cyclamen aldehyde
FL/FR
3-
decen-2-one
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
cis-
galbanum oxathiane
FL/FR
gelsone (IFF)
FL/FR
geranyl isovalerate
FL/FR
green note propionate
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl butyrate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
marigold pot absolute
FL/FR
methyl (E)-3-hexenoate
FL/FR
4-
methyl-2-pentenal
FL
beta-
ocimene
FL/FR
(Z)-beta-
ocimene
FL/FR
1-
penten-3-ol
FL/FR
(E)-2-
pentenal
FL/FR
phenoxyethyl isobutyrate
FL/FR
propylene glycol acetone ketal
FL
herbal
barosma betulina leaf oil
FL/FR
buchu oil fractions
FL
tagete oil india
FL/FR
honey
phenethyl acetate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
ketonic
3-
heptanone
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
nutty
aconitic acid
FL
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
anacardium occidentale fruit puree
FL
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
propyl propionate
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
ethyl decanoate
FL/FR
3-
octyl formate
FL/FR
propyl heptanoate
FL/FR
 
Potential Uses:
 fruitFR
 
Occurrence (nature, food, other): note
 passion fruit juice
Search Trop Picture
 
Synonyms:
 ethyl (4Z)-hept-4-enoate
 ethyl (Z)-hept-4-enoate
 ethyl cis-4-heptenoate
(4Z)-ethylheptenoate
4-heptenoic acid, ethyl ester, (4Z)-
4-heptenoic acid, ethyl ester, (Z)-
 
 
Notes:
Used as a food additive [EAFUS]
 
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