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ethyl (E)-3-hexenoate

Chemical Structure

General Material Information

Preferred name ethyl (E)-3-hexenoate
Trivial Name Ethyl (E)-3-hexenoate
Short Description ethyl trans-3-hexenoate
Formula C8 H14 O2
CAS Number 26553-46-8
FEMA Number 3342
ECHA Number 247-798-9
FDA UNII U53D99S694
Nikkaji Number J126.495H
MDL MFCD00036524
xLogP3-AA 1.90 (est)
NMR Predictor External link
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
Synonyms
  • ethyl (3E)-hex-3-enoate
  • ethyl (E)-hex-3-enoate
  • ethyl T3 hexenoate
  • ethyl trans-3-hexenoate
  • ethyl-trans-3-hexenoate
  • 3-hexenoic acid, ethyl ester, (3E)-
  • 3-hexenoic acid, ethyl ester, (E)-
  • 3-Hexenoic acid, ethyl ester, (3E)-
  • 3-Hexenoic acid, ethyl ester, (E)-
  • trans-3-Hexenoic acid ethyl ester

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

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Literature & References

ethyl (E)-hex-3-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:26553-46-8
Pubchem (cid):5362622
Pubchem (sid):135017587
Publications by PubMed
Characteristic aroma compounds from different pineapple parts.

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 142.19798278809
Specific gravity @ 25 °C
Pounds per Gallon
Boiling Point 169 to 170°C @ 760 mm Hg
Boiling Point 63 to 64°C @ 12 mm Hg
Vapor Pressure 1.553 mmHg @ 25 °C
Flash Point TCC Value 59.44 °C TCC
logP (o/w) 2.59 est
Solubility
alcohol Yes
water, 480.5 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
green, fruity, passion fruit, guava, pineapple, papaya, weedy, honey
Luebke, William tgsc, (2017) At 100.00 %. sweet green fruity passion fruit guava pineapple papaya weedy honey
Flavor Type: Fruity
fruity, green, passion fruit, pineapple, rummy, honey, papaya, weedy
Luebke, William tgsc, (2017) Sweet fruity green passion fruit pineapple rummy honey papaya weedy

Occurrences

Safety Information

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
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 ppmaverage maximum ppm
baked goods: -4.00000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.00000
fruit ices: -2.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: -4.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -2.00000
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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):26553-46-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5362622
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
ethyl (E)-hex-3-enoate
Chemidplus:0026553468