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ethyl valerate

Chemical Structure

General Material Information

Preferred name ethyl valerate
Trivial Name Ethyl valerate
Short Description ethyl pentanoate
Formula C7 H14 O2
CAS Number 539-82-2
FEMA Number 2462
Flavis Number 9.147
ECHA Number 208-726-1
FDA UNII 95R258T4P6
Nikkaji Number J43.250D
Beilstein Number 1744680
MDL MFCD00009479
COE Number 465
xLogP3-AA 1.90 (est)
NMR Predictor External link
JECFA Food Flavoring 30 ethyl pentanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 539-82-2 ; ETHYL VALERATE
Synonyms
  • ethyl n valerate
  • ethyl N-valerate
  • ethyl pentanoate
  • ethyl valerate 99%, (naturals)
  • ethyl valerianate
  • ethyl-n-valerate FCC
  • ethyl-valerate FCC
  • ethylvalerate
  • pentanoic acid ethyl ester
  • pentanoic acid, ethyl ester
  • valeric acid ethyl ester
  • valeric acid, ethyl ester
  • Ethyl n-pentanoate
  • NSC 8868

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

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Literature & References

ethyl pentanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:539-82-2
Pubchem (cid):10882
Pubchem (sid):134978624
Flavornet:539-82-2
Pherobase:View
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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40297
FooDB:FDB020019
YMDB (Yeast Metabolome Database):YMDB01342
Export Tariff Code:2915.90.5050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 130.18698120117
Specific gravity @ 25 °C
Pounds per Gallon 7.239 to 7.281
Refractive Index 1.399 to 1.402 @ 20 °C
Boiling Point 144 to 145°C @ 760 mm Hg
Boiling Point 72 to 74°C @ 65 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 4.745 mmHg @ 25 °C
Vapor Density 4.4
Flash Point TCC Value 38.89 °C TCC
logP (o/w) 2.314 est
Solubility
alcohol Yes
water, 925.9 mg/L @ 25 °C (est) Yes
water, 2210 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, fruity, apple, pineapple, green, tropical, acidic, berry
Odor strength high , recommend smelling in a 10.00 % solution or less
Substantivity 4
Luebke, William tgsc, (1985) At 10.00 % in dipropylene glycol. sweet fruity apple pineapple green tropical
Mosciano, Gerard P&F 23, No. 2, 43, (1998) Sweet, fruity, acidic, pineapple, apple, green, berry and tropical
Flavor Type: Fruity
fruity, strawberry, sweet, estery, pineapple, fruit tropical fruit
Mosciano, Gerard P&F 23, No. 2, 43, (1998) At 30.00 ppm. Fruity, strawberry, sweet, estry, fruity, pineapple and tropical fruit
General comment Fruity, sweet: tropical, pineapple, strawberry

Occurrences

Potential Uses

Applications
Odor purposes Apple, Apricot, Banana, Berry, Fruit, Mint, Pineapple, Rue, Strawberry, Wine
Flavoring purposes Cheese, Dairy, Fruit tropical fruit, Rue
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 07/09 - Keep container tightly closed and in well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, 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 ethyl valerate usage levels up to:
4.0000 % 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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -8.30000
beverages(nonalcoholic): -4.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -260.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.40000
fruit ices: -4.40000
gelatins / puddings: -5.50000
granulated sugar: --
gravies: --
hard candy: -15.00000
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: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):539-82-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10882
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:3
ethyl pentanoate
Chemidplus:0000539822