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butyl valerate

Chemical Structure

General Material Information

Preferred name butyl valerate
Trivial Name Butyl valerate
Short Description valeric acid, butyl ester
Formula C9 H18 O2
CAS Number 591-68-4
FEMA Number 2217
Flavis Number 9.148
ECHA Number 209-728-5
FDA UNII F93Z6CCM06
Nikkaji Number J95.903K
MDL MFCD00015258
COE Number 466
xLogP3-AA 2.70 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 160 butyl valerate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 591-68-4 ; BUTYL VALERATE
Synonyms
  • butyl pentanoate
  • N- butyl valerate
  • butyl valerate natural
  • butyl valerianate
  • butyl-valerate
  • pentanoic acid butyl ester
  • pentanoic acid, butyl ester
  • valeric acid butyl ester
  • valeric acid, butyl ester
  • n-Butyl valerate
  • n-Butyl pentanoate

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

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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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40295
FooDB:FDB020017
Export Tariff Code:2915.60.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 158.24085998535
Specific gravity @ 25 °C
Pounds per Gallon 7.164 to 7.248
Refractive Index 1.408 to 1.416 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 0.608 mmHg @ 25 °C
Vapor Density 5.4
Flash Point TCC Value 66.67 °C TCC
logP (o/w) 3.333 est
Solubility
alcohol Yes
propylene glycol Yes
water, slightly Yes
water, 101.9 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, fruity, pineapple, green, raspberry, tropical, tutti frutti
General comment At 10.00 % in dipropylene glycol. sweet fruity pineapple green raspberry tropical
Mosciano, Gerard P&F 20, No. 3, 63, (1995) Sweet, fruity, pineapple, green, tropical and tutti-frutti
Flavor Type: Fruity
sweet, pineapple, fruity, banana, ripe, tutti frutti
Mosciano, Gerard P&F 20, No. 3, 63, (1995) At 10.00 ppm. Sweet, pineapple, fruity, banana, ripe and tutti-frutti

Occurrences

Potential Uses

Applications
Odor purposes Apple, Banana, Green, Pineapple, Raspberry, Valerian, Wine
Flavoring purposes Tropical, Valerian

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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 - 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 butyl valerate usage levels up to:
3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.70 (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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -6.80000
beverages(nonalcoholic): -3.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.60000
fruit ices: -2.60000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -8.00000
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 Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

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):591-68-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61137
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
butyl pentanoate
Chemidplus:0000591684