ethyl (Z)-4-octenoate-Spice database

2D:
3D:
CAS Number:	34495-71-1
ECHA EC Number:	252-065-1
FDA UNII:	EI52D4C073
CoE Number:	10619
Category:	flavor and fragrance agents
IUPAC Name:	ethyl (Z)-4-octenoate
InChI :	InChI=1/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6-
Std.InChI:	InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6-
InChIKey :	WRUZCQAJIHSQPL-SREVYHEPBO
Std.InChIKey:	WRUZCQAJIHSQPL-SREVYHEPSA-N
SMILES :	CCC\C=C/CCC(=O)OCC
Molar Refractivity :	50.21 ± 0.3 cm3 (est)
Parachor :	441.9 ± 4.0 cm3 (est)
Index of Refraction :	1.439 ± 0.02 (est)
Surface Tension :	28.8 ± 3.0 dyne/cm (est)
Density :	0.892 ± 0.06 g/cm3 (est)
Polarizability :	19.90 ± 0.5 10-24cm3 (est)

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
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	338 ethyl cis-4-octenoate
DG SANTE Food Flavourings:	09.265 ethyl cis-4-octenoate
FEMA Number:	3344 ethyl cis-4-octenoate
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	34495-71-1 ; ETHYL CIS-4-OCTENOATE

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	98.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.86000 to 0.87000 @ 25.00 °C.
Pounds per Gallon - (est).:	7.156 to 7.239
Refractive Index:	1.43300 to 1.43900 @ 20.00 °C.
Boiling Point:	105.00 °C. @ 11.00 mm Hg
Boiling Point:	79.00 °C. @ 10.00 mm Hg
Vapor Pressure:	0.411000 mmHg @ 25.00 °C. (est)
Flash Point:	146.00 °F. TCC ( 63.33 °C. )
logP (o/w):	3.406 (est)
Soluble in:
	alcohol
	water, 52.1 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

fresh pineapple juicy pear fresh pineapple pear

Cosmetic Information:

None found

Suppliers:

Bedoukian Research

ETHYL 4-OCTENOATE (CIS)

sds

Odor: A fresh, juicy, pineapple note with slight citrus connotations

Use: Useful in imparting a natural, sweet, tropical, fruity character.

Flavor: Characteristic fresh pineapple

Useful in tropical fruit flavors, particularly pineapple for fresh, ripe notes. Also useful in apple, Coran pear, prune, and other fruit flavors.

BOC Sciences

For experimental / research use only.

ETHYL 4-OCTENOATE (CIS) 98.0% (sum of isomers)

Penta International

ETHYL CIS-4-OCTENOATE

Chemical Sources Association

Need This Item for Flavor/Food?: You can contact the Chemical Sources Association

Safety Information:

Preferred SDS: View

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for ethyl (Z)-4-octenoate usage levels up to:
	3.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		1.20 (μg/capita/day)
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: 6
Click here to view publication 6
		average usual ppm	average maximum ppm
baked goods:		-	5.00000
beverages(nonalcoholic):		-	3.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	3.00000
fruit ices:		-	3.00000
gelatins / puddings:		-	3.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	5.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	3.00000
meat products:		-	-
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		-	-
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):

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

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5
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 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - 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 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):34495-71-1

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :5352770

National Institute of Allergy and Infectious Diseases:Data

ethyl (Z)-oct-4-enoate

Chemidplus:0034495711

References:

	ethyl (Z)-oct-4-enoate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	34495-71-1
Pubchem (cid):	5352770
Pubchem (sid):	135018497
Pherobase:	View

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (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):	HMDB39795
FooDB:	FDB019445
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components :

For Odor

aldehydic

pinoacetaldehyde
FR

amber

ambroxan
FL/FR

ambroxide
FL/FR

animal

methyl (E)-2-octenoate
FL/FR

balsamic

abies alba cone oil
FR

abies alba leaf extract
FR

abies alba needle oil
FL/FR

arabinogalactan
CS

dextro,laevo-

borneol
FL/FR

dextro-

borneol
FL/FR

laevo-

borneol
FL/FR

laevo-

bornyl acetate
FL/FR

iso

bornyl acetate
FL/FR

bornyl formate
FL/FR

iso

bornyl methyl ether
FL/FR

iso

bornyl propionate
FL/FR

cypress absolute
FR

dextro-

fenchone
FL/FR

fir balsam absolute
FR

fir balsam concrete
FR

fir carboxylate
FR

fir needle oil terpeneless canada
FL/FR

nopol
FL/FR

(Z)-

pinane
FR

terpinyl isovalerate
FL/FR

verbenol
FL/FR

camphoreous

camphor tree bark oil
FL/FR

fenchol
FL/FR

laevo-

fenchone
FL/FR

hinoki leaf oil
FR

caramellic

maltyl propionate
FL/FR

cheesy

heptanoic acid
FL/FR

chemical

propyl propionate
FL/FR

earthy

(-)-alpha-

fenchol
FL/FR

methyl 3-hexenoate
FL/FR

scotch

pine needle oil
FL/FR

scotch

pine needle oil estonia
FL/FR

scotch

pine needle oil yugoslavia
FL/FR

(E+Z)-2,4,8-

trimethyl-3,7-nonadien-2-ol
FL/FR

ethereal

propyl valerate
FL/FR

fatty

allyl decanoate
FL/FR

allyl octanoate
FL/FR

3-

decen-2-one
FL/FR

methyl 10-undecenoate
FL/FR

methyl 2-hexenoate
FL/FR

fermented

ethyl crotonate
FL/FR

floral

(S)-

citronellyl acetate
FL/FR

alpha-

damascone
FL/FR

gamma-

damascone
FR

(Z)-4-

decen-1-yl acetate
FL/FR

dihydrocarvyl acetate
FL/FR

geranyl valerate
FL/FR

hexyl 2-furoate
FL/FR

hexyl lactate
FL/FR

linalool oxide (furanoid)
FL/FR

methyl citronellate
FL/FR

neryl acetate
FL/FR

octyl isovalerate
FL/FR

phenethyl hexanoate
FL/FR

phenethyl isovalerate
FL/FR

2-

phenyl propyl isobutyrate
FL/FR

verdyl acetate
FR

fruity

acetoin acetate
FL/FR

allyl 10-undecenoate
FL/FR

allyl 3,5,5-trimethyl hexanoate
FL/FR

allyl amyl glycolate
FR

allyl butyrate
FL/FR

allyl cinnamate
FL/FR

allyl cyclohexyl acetate
FL/FR

allyl cyclohexyl butyrate
FL/FR

allyl cyclohexyl propionate
FL/FR

allyl heptanoate
FL/FR

allyl hexanoate
FL/FR

allyl isovalerate
FL/FR

allyl phenoxyacetate
FL/FR

allyl salicylate
FR

(E,E)-

allyl sorbate
FL/FR

amyl 2-methyl butyrate
FL/FR

amyl acetate
FL/FR

amyl butyrate
FL/FR

iso

amyl hexanoate
FL/FR

iso

amyl isobutyrate
FL/FR

amyl isovalerate
FL/FR

iso

amyl octanoate
FL/FR

iso

amyl propionate
FL/FR

iso

amyl valerate
FL/FR

apple crotonate
FR

apple ketal
FL/FR

benzyl butyrate
FL/FR

benzyl ethyl ether
FL/FR

benzyl isovalerate
FL/FR

benzyl propionate
FL/FR

iso

butyl 2-butenoate
FL/FR

iso

butyl butyrate
FL/FR

iso

butyl furyl propionate
FL/FR

butyl hexanoate
FL/FR

iso

butyl hexanoate
FL/FR

iso

butyl isobutyrate
FL/FR

iso

butyl isovalerate
FL/FR

butyl valerate
FL/FR

2-tert-

butyl-5-methyl-2-propyl tetrahydrofuran
FR

cherry pentenoate
FL/FR

cinnamyl isobutyrate
FL/FR

cyclohexyl butyrate
FL/FR

cyclohexyl hexanoate
FL/FR

cyclohexyl isovalerate
FL/FR

diethyl malonate
FL/FR

eriocephalus punctulatus flower oil
FR

ethyl 2-methyl butyrate
FL/FR

ethyl 2-octenoate
FL/FR

ethyl 3-(2-furyl) propanoate
FL/FR

ethyl 3-hexenoate
FL/FR

ethyl 3-hydroxyhexanoate
FL/FR

ethyl 3-methyl valerate
FL/FR

ethyl 5-hydroxyoctanoate
FL/FR

ethyl butyrate
FL/FR

ethyl cyclohexane propionate
FL/FR

ethyl heptanoate
FL/FR

ethyl hexanoate
FL/FR

ethyl isovalerate
FL/FR

ethyl lactate
FL/FR

ethyl levulinate
FL/FR

ethyl propionate
FL/FR

(E,E)-

ethyl sorbate
FL/FR

ethyl valerate
FL/FR

ethyl-2-cyclopentenyl acetate
FR

fruity ketal
FL/FR

geranyl 2-methyl butyrate
FL/FR

geranyl isovalerate
FL/FR

4-

heptanone
FL/FR

(E)-2-

hepten-1-yl acetate
FL/FR

heptyl isobutyrate
FL/FR

herbanate (Givaudan)
FR

(Z)-3-

hexen-1-yl isobutyrate
FL/FR

hexyl formate
FL/FR

juicy fruit fragrance
FR

linalyl hexanoate
FL/FR

methyl (Z)-4-octenoate
FL/FR

methyl 2-methyl valerate
FL/FR

methyl 4-methyl valerate
FL/FR

2-

methyl butyl 2-methyl butyrate
FL/FR

methyl butyrate
FL/FR

methyl cyclohexyl acetate
FR

methyl hexanoate
FL/FR

methyl isobutyrate
FL/FR

methyl isovalerate
FL/FR

methyl nonanoate
FL/FR

methyl valerate
FL/FR

2-

methyl-2-pentenal
FL/FR

nonyl isovalerate
FL/FR

(Z)-3-

octen-1-yl propionate
FL/FR

3-

phenyl propyl hexanoate
FL/FR

pineapple essence
FL/FR

pineapple fragrance
FR

pineapple hydroxyhexanoate
FL/FR

pineapple pentenoate
FL/FR

pineapple specialty
FR

prenyl isobutyrate
FL/FR

iso

propyl 2-methyl butyrate
FL/FR

iso

propyl butyrate
FL/FR

propyl heptanoate
FL/FR

propyl hexanoate
FL/FR

iso

propyl hexanoate
FL/FR

iso

propyl isobutyrate
FL/FR

propyl isovalerate
FL/FR

iso

propyl isovalerate
FL/FR

iso

propyl propionate
FL/FR

tetrahydrofurfuryl butyrate
FL/FR

tropical dienoate (Bedoukian)
FL/FR

tropical ionone
FL/FR

2-

undecanone
FL/FR

vanilla carboxylate
FL/FR

cis-

woody acetate
FR

green

butyl heptanoate
FL/FR

cognac heptanone
FL/FR

ethyl (E)-4-decenoate
FL/FR

galbanum oxyacetate
FR

galbascone (IFF)
FR

(Z)-3-

hexen-1-yl acetate
FL/FR

(Z)-3-

hexen-1-yl hexanoate
FL/FR

(Z)-3-

hexen-1-yl isovalerate
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 diethyl acetal
FL/FR

4-

hexenol
FL/FR

3-

hexenyl 2-methyl butyrate
FL/FR

(Z)-3-

hexenyl methyl ether
FR

hexyl 2-methyl butyrate
FL/FR

hexyl butyrate
FL/FR

hexyl isobutyrate
FL/FR

manzanate (Givaudan)
FL/FR

methyl (E)-3-hexenoate
FL/FR

(E,Z)-3,6-

nonadien-1-ol
FL/FR

3,6-

nonadien-1-yl acetate
FL/FR

(E)-2-

octen-1-yl acetate
FL/FR

3-

octyl formate
FL/FR

(E)-2-

pentenal
FL/FR

pineapple heptadienone 10%
FR

sorbyl isobutyrate
FL/FR

(E,E)-

sorbyl isobutyrate
FL/FR

spirogalbanone (Givaudan)
FR

herbal

6-

acetoxydihydrotheaspirane
FL/FR

benzyl octanoate
FL/FR

camphene carbinyl acetate
FR

1,4-

cineole
FL/FR

dehydroxylinalool oxide
FL/FR

alpha-

dihydroterpineol
FL/FR

dihydroterpinyl acetate
FL/FR

fir needle oil replacer
FR

herbal specialty
FR

herbal undecanone
FR

6-

hydroxydihydrotheaspirane (mixture of isomers)
FL/FR

hyssop oil
FL/FR

myrcenyl methyl ether
FL/FR

myrtenol
FL/FR

nopyl acetate
FR

pine hexanol
FR

beta-

pinene
FL/FR

alpha-

pine

Potential Uses:

FR	apple
FR	pineapple

Occurrence (nature, food, other):

	apple fruit Search PMC Picture
	passion fruit Search Trop Picture
	pineapple fruit Search Trop Picture

Synonyms:

	ethyl (4Z)-4-octenoate
	ethyl (Z)-oct-4-enoate
	ethyl cis-4-octenoate
cis-	oct-4-enoic acid ethyl ester
(Z)-4-	octenoic acid ethyl ester
4-	octenoic acid, ethyl ester, (4Z)-
4-	octenoic acid, ethyl ester, (Z)-

Articles:

US Patents:3,953,377 - Ethyl-2-trans-4-cis undecadienoate, ethyl-2-trans-4-cis dodecadienoate and ethyl-2-decadienoate perfume compositions