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ethyl (Z)-4,7-octadienoate

Chemical Structure

General Material Information

Preferred name ethyl (Z)-4,7-octadienoate
Trivial Name 4,7-Octadienoic acid, ethyl ester, (Z)-
Short Description ethyl cis-4,7-octadienoate
Formula C10 H16 O2
CAS Number 69925-33-3
FEMA Number 3682
Flavis Number 9.29
FDA UNII VD2YQW659E
Nikkaji Number J53.087E
xLogP3-AA 2.50 (est)
NMR Predictor External link
JECFA Food Flavoring 339 ethyl cis-4,7-octadienoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 69925-33-3 ; ETHYL CIS-4,7-OCTADIENOATE
Synonyms
  • ethyl (4Z)-octa-4,7-dienoate
  • ethyl (Z)-octa-4,7-dienoate
  • ethyl cis-4,7-octadienoate
  • ethyl octa-4Z,7-dienoate
  • (Z)-4,7-octadienoic acid ethyl ester
  • 4,7-octadienoic acid, ethyl ester, (4Z)-
  • 4,7-octadienoic acid, ethyl ester, (Z)-
  • 4,7-Octadienoic acid, ethyl ester, (Z)-

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Perfumer & Flavorists Start search
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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):HMDB31156
FooDB:FDB003170
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 168.2359161377
Specific gravity @ 20 °C
Pounds per Gallon 7.506 to 7.573
Refractive Index 1.44 to 1.444 @ 20 °C
Vapor Pressure 0.258 mmHg @ 25 °C
Flash Point TCC Value 72.78 °C TCC
logP (o/w) 3.061 est
Solubility
alcohol Yes
water, 69.63 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
pineapple, fruity
General comment At 100.00 %. pineapple fruity

Occurrences

Potential Uses

Applications
Odor purposes Passion fruit

Safety Information

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:
gavage-rat LD50 [sex: M/F] > 10000 mg/kg
(Mondino, 1979)

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
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.80 (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: 13
Click here to view publication 13
average usual ppmaverage maximum ppm
baked goods: -20.00000
beverages(nonalcoholic): -10.00000
beverages(alcoholic): -10.00000
breakfast cereal: -25.00000
cheese: --
chewing gum: -25.00000
condiments / relishes: --
confectionery froastings: -10.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -15.00000
fruit ices: -15.00000
gelatins / puddings: -15.00000
granulated sugar: --
gravies: --
hard candy: -20.00000
imitation dairy: -10.00000
instant coffee / tea: --
jams / jellies: -5.00000
meat products: --
milk products: -10.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -20.00000
soft candy: -15.00000
soups: --
sugar substitutes: --
sweet sauces: -5.00000

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

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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :21159448
National Institute of Allergy and Infectious Diseases:Data
ethyl (4Z)-octa-4,7-dienoate
Chemidplus:0069925333