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ethyl 2-hexenoate

Chemical Structure

General Material Information

Preferred name ethyl 2-hexenoate
Trivial Name Ethyl 2-hexenoate
Short Description ethyl hex-2-enoate
Formula C8 H14 O2
CAS Number 1552-67-6
FEMA Number 4613
ECHA Number 216-296-1
FDA UNII Search
COE Number 631
xLogP3-AA 2.30 (est)
NMR Predictor External link
JECFA Food Flavoring 2167 ethyl 2-hexenoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1552-67-6 ; ETHYL 2-HEXENOATE
Synonyms
  • ethyl hex-2-enoate
  • hex-2-enoic acid ethyl ester
  • 2-hexenoic acid ethyl ester
  • 2-hexenoic acid, ethyl ester
  • 2-hexenoic acid, ethylester
  • 2-Hexenoic acid, ethyl ester

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

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Literature & References

ethyl hex-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1552-67-6
Pubchem (cid):519129
Pubchem (sid):135198879
Publications by Info
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)

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):HMDB32268
FooDB:FDB009391
YMDB (Yeast Metabolome Database):YMDB01365
Export Tariff Code:2916.19.6000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 142.19798278809
Specific gravity @ 20 °C
Pounds per Gallon 7.456 to 7.539
Refractive Index 1.43 to 1.44 @ 20 °C
Boiling Point 167 to 174°C @ 760 mm Hg
Vapor Pressure 1.322 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 62.22 °C TCC
logP (o/w) 2.91 est
Solubility
alcohol Yes
water, 480.5 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
rummy, fruity, green, sweet, juicy
Odor strength medium
Substantivity > 1 hour(s) at 100.00 %
General comment At 100.00 %. rum fruity green sweet juicy
For tropical nuances, grape, berry and apple applications. A pleasant, rum-like odor; fruity, green and sweet with a juicy undertone

Occurrences

Potential Uses

Applications
Odor purposes Apple, Banana, Grape, Green, Guava, Papaya, Passion fruit, Pineapple, Quince, Raspberry, Saffron, Strawberry
Flavoring purposes Fruit tropical fruit
Other purposes Grass

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
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:
oral-mouse LD50 > 8000 mg/kg
Mostly used in rum and alcoholic flavors, can also be used in other fruity applications.

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 2-hexenoate usage levels up to:
5.0000 % in the fragrance concentrate.
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: 24
Click here to view publication 24
average usual ppmaverage maximum ppm
baked goods: 0.500003.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 0.500003.00000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
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: 0.500003.00000
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

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 :519129
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:2
ethyl hex-2-enoate
Chemidplus:0001552676