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methyl 3-hexenoate

Chemical Structure

General Material Information

Preferred name methyl 3-hexenoate
Trivial Name Methyl 3-hexenoate
Short Description methyl hex-3-enoate
Formula C7 H12 O2
CAS Number 2396-78-3
FEMA Number 3364
Flavis Number 9.267
ECHA Number 219-256-1
FDA UNII 5B8F9YC2ZN
MDL MFCD00672771
COE Number 10801
xLogP3-AA 1.90 (est)
NMR Predictor External link
JECFA Food Flavoring 334 methyl 3-hexenoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2396-78-3 ; METHYL 3-HEXENOATE
Synonyms
  • fruity sorbate
  • 3-hexenoic acid methyl ester
  • 3-hexenoic acid, methyl ester
  • methyl beta-propylacrylate
  • methyl hex-3-enoate
  • methyl hydrosorbate
  • methyl-3-hexenoate
  • 3-Hexenoic acid, methyl ester
  • Hydrosorbic acid, methyl ester

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

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Google Books Start search
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Perfumer & Flavorists Start search
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NCBI Start search

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):HMDB31504
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
Boiling Point 168 to 169°C @ 760 mm Hg
Vapor Pressure 4.057 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 46.11 °C TCC
logP (o/w) 2.316 est
Solubility
alcohol Yes
water, 1439 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Earthy
earthy, sweet, fruity, estery, green, fresh
General comment At 10.00 % in dipropylene glycol. earthy sweet slightly fruity
Mosciano, Gerard P&F 17, No. 5, 127, (1992) Fruity, estry, green, with a fresh sweet impact
Flavor Type: Fruity
fruity, green, sweet, banana
Mosciano, Gerard P&F 17, No. 5, 127, (1992) At 10.00 ppm. Fruity, green, sweet, banana-like
Would do well in a pineapple, grape or banana flavor. Fruity

Occurrences

Potential Uses

Applications
Odor purposes Apple, Banana, Earth, Fruit, Grape, Pear, Pineapple, Strawberry, Valerian
Flavoring purposes Cheese, Tropical, Valerian

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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:
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 3-hexenoate usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.56 (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 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

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):2396-78-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61310
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:3
methyl hex-3-enoate
Chemidplus:0002396783