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pineapple pentenoate

General Material Information

Preferred name pineapple pentenoate
Trivial Name ethyl 2-methylpent-4-enoate
Short Description ethyl-2-methyl-4-pentenoate
Formula C8 H14 O2
CAS Number 53399-81-8
CAS Number 53399-81-8 (R)
CAS Number 53399-81-8 (S)
FEMA Number 3489
Flavis Number 9.527
ECHA Number 258-520-0
FDA UNII F7GX41R904
Nikkaji Number J267.347I
MDL MFCD00010235
COE Number 10613
xLogP3-AA 2.10 (est)
NMR Predictor External link
JECFA Food Flavoring 351 ethyl-2-methyl-4-pentenoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 53399-81-8 ; ETHYL 2-METHYL-4-PENTENOATE
Synonyms
  • ethyl 2-methyl 4-pentenoate
  • ethyl 2-methyl pent-4-en-1-oate
  • ethyl 2-methyl pent-4-enoate
  • ethyl 2-methyl-3 & -4-pentenoates
  • ethyl 2-methyl-4-pentenoate
  • ethyl 2-methylpent-4-en-1-oate
  • ethyl 2-methylpent-4-enoate
  • ethyl-2-methyl-4-pentenoate
  • ethyl2-methyl-4-pentenoate
  • 2-methyl-4-pentenoic acid ethyl ester
  • pent-4-enoic acid, 2-methyl-, ethyl ester
  • 4-pentenoic acid, 2-methyl-, ethyl ester

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

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Literature & References

ethyl 2-methylpent-4-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:53399-81-8
Pubchem (cid):62024
Pubchem (sid):135020396
ethyl (2R)-2-methylpent-4-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:53399-81-8
Pubchem (cid):6997337
Pubchem (sid):43599196
ethyl (2S)-2-methylpent-4-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:53399-81-8
Pubchem (cid):6997336
Pubchem (sid):43599195
Publications by US Patents
3,966,799 - Alkyl esters of 2-methyl-4-pentenoic acid
3,976,801 - Flavoring compositions containing alkyl esters of 2-methyl-4-pentenoic acid

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):HMDB29761
FooDB:FDB000966
Export Tariff Code:2916.19.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 142.19798278809
Specific gravity @ 25 °C
Pounds per Gallon 7.322 to 7.372
Refractive Index 1.412 to 1.419 @ 20 °C
Boiling Point 153 to 155°C @ 760 mm Hg
Vapor Pressure 3.245 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 42.22 °C TCC
logP (o/w) 2.232 est
Solubility
alcohol Yes
water, 475.7 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fruity, green, ripe, pineapple, banana ripe banana, chrysanthemum, privet, fatty, estery, tropical, spicy, cooling
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity > 1 hour(s) at 100.00 %
Luebke, William tgsc, (2021) At 10.00 % in propylene glycol. fruity green ripe pineapple tropical ripe banana chrysanthemum privet fatty
Mosciano, Gerard P&F 22, No. 2, 69, (1997) Estry, fruity and tropical with spicy, cooling nuances
Flavor Type: Fruity
fruity, ethereal, estery, apple, pineapple, tropical, green, fatty, cooling
Luebke, William tgsc, (2021) Fruity ethereal estery apple pineapple tropical green fatty
Mosciano, Gerard P&F 22, No. 2, 69, (1997) At 2.50 ppm. Fruity, estry, apple and pineapple with tropical and cooling nuances
Fruits and berries, especially apple, strawberry, and pineapple. Sweet, fresh fruity strawberry, apple notes
Used in fruity flavors especially pineapple. Fruity

Potential Uses

Applications
Odor purposes Apple, Berry, Cherry, Green, Honeydew, Melon, Mint, Pineapple, Valerian
Flavoring purposes Tropical, Valerian
Cosmetic purposes Perfuming agents

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 16 - Keep away from sources of ignition - No Smoking.
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 37/39 - Wear suitable gloves and eye/face protection.
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 pineapple pentenoate usage levels up to:
4.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (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: 10
Click here to view publication 10
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): -0.50000
breakfast cereal: --
cheese: --
chewing gum: -5.00000
condiments / relishes: --
confectionery froastings: -3.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -1.00000
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):53399-81-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62024
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:2
ethyl 2-methylpent-4-enoate
Chemidplus:0053399818
ethyl (2R)-2-methylpent-4-enoate
ethyl (2S)-2-methylpent-4-enoate