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methyl (E)-3-hexenoate

Chemical Structure

General Material Information

Preferred name methyl (E)-3-hexenoate
Trivial Name Methyl (E)-3-hexenoate
Short Description methyl trans-3-hexenoate
Formula C7 H12 O2
CAS Number 13894-61-6
FEMA Number 3364
ECHA Number 237-662-7
FDA UNII 7IP0T834PB
Nikkaji Number J126.493A
MDL MFCD00672771
xLogP3-AA 1.50 (est)
NMR Predictor External link
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
Synonyms
  • (E)-3-hexenoic acid methyl ester
  • 3-hexenoic acid, methyl ester, (3E)-
  • 3-hexenoic acid, methyl ester, (E)-
  • honeyflor (Bedoukian)
  • methyl (3E)-hex-3-enoate
  • methyl (E)-hex-3-enoate
  • methyl T3 hexenoate
  • methyl trans 3 hexenoate
  • methyl trans-3-hexenoate
  • 3-Hexenoic acid, methyl ester, (3E)-
  • 3-Hexenoic acid, methyl ester, (E)-

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

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Perfumer & Flavorists Start search
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Literature & References

methyl (E)-hex-3-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13894-61-6
Pubchem (cid):5362782
Pubchem (sid):135017586
Publications by Perfumer & Flavorist
Organoleptic Characteristics of Flavor Materials

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
HMDB (The Human Metabolome Database):Search
FooDB:FDB008095
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 128.1710357666
Specific gravity @ 25 °C
Pounds per Gallon 7.522 to 7.689
Refractive Index 1.42 to 1.44 @ 20 °C
Boiling Point 145 to 146°C @ 760 mm Hg
Vapor Pressure 4.782 mmHg @ 25 °C
Flash Point TCC Value 64.44 °C TCC
logP (o/w) 2.059 est
Solubility
alcohol Yes
water, 1439 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, honey, fruity, hyacinth, cortex, papaya, guava, pineapple, tropical, sharp, sweet, fresh, apple, pear, floral
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity > 1 hour(s) at 100.00 %
Luebke, William tgsc, (2017) At 100.00 %. sweet green honey fruity hyacinth cortex papaya guava pineapple tropical
Mosciano, Gerard, (2009) At 1.00 %. sharp, sweet green, fresh, fruity apple and pear with a slight floral nuance
Flavor Type: Green
green, fruity, tropical, guava, pineapple, papaya, honey, cortex, sharp, apple, astringent
Luebke, William tgsc, (2017) Green fruity tropical guava pineapple papaya honey cortex
Mosciano, Gerard, (2009) At 5.00 ppm. Sharp, green, unripe fruity pineapple and apple like with a slight astringent aftertaste
Would do well in a pineapple, grape or banana flavor. Green

Occurrences

Potential Uses

Applications
Odor purposes Banana, Fruit, Grape, Honey, Pineapple
Flavoring purposes Cheese, Tropical

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
Recommendation for methyl (E)-3-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: 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):13894-61-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5362782
National Institute of Allergy and Infectious Diseases:Data
methyl (E)-hex-3-enoate
Chemidplus:0013894616