pentanoic acid, 3-methyl-2-oxo-, ethyl ester

General Material Information

Preferred name	pentanoic acid, 3-methyl-2-oxo-, ethyl ester
Trivial Name	ethyl 3-methyl-2-oxopentanoate
Short Description	nuezate (Bedoukian)
Formula	C8 H14 O3
CAS Number	26516-27-8
Deleted CAS Number	123434-11-7
FEMA Number	4903
FDA UNII	5V9ZD1U3Q9
Nikkaji Number	J1.365.447F
xLogP3-AA	1.80 (est)
NMR Predictor	External link
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
Synonyms	2-oxo-3-methylpentanoic acid ethyl ester ethyl 2-oxo-3-methylpentanoate ethyl 3-methyl-2-oxopentanoate nuezate (Bedoukian) ethyl 2-oxo-3-methylvalerate Valeric acid, 3-methyl-2-oxo-, ethyl ester

(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
Export Tariff Code:	2915.90.0000
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	158.19717407227
Specific gravity	@ 25 °C
Pounds per Gallon	8.013 to 8.063
Refractive Index	1.414 to 1.418 @ 20 °C
Vapor Pressure	0.253 mmHg @ 25 °C
Flash Point TCC Value	77.1 °C TCC
logP (o/w)	0.934
Solubility
alcohol	Yes
water, 1.111e+004 mg/L @ 25 °C (est)	Yes

Odor Type: Nutty
nutty, walnut, woody, herbal
General comment	Great for adding earthy notes typical of many tree nuts. Especially useful for enhancing flavors in maple and nutty applications. Recommended Flavor Use Level: 0.1 - 5.0 PPM nutty black walnut aroma, accompanied by woody nuances and a subtle herbaceousness
Flavor Type: Nutty
fresh, nutty, walnut, dry, woody
General comment	Fresh nutty notes of walnut, dry, woody
Great for adding earthy notes typical of many tree nuts. Especially useful for enhancing flavors in maple and nutty applications. Recommended Flavor Use Level: 0.1 - 5.0 PPM	Characteristic, fresh notes of walnut, dry, woody.

Applications	flavor and fragrance agents
Odor purposes	Herbal, Woody
Flavoring purposes	Nut, Walnut
Other purposes	Nut meat, Nut skin, Nutty, Woody herbal bases

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

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

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: 29
Click here to view publication 29
	average usual ppm	average maximum ppm
baked goods:	10.00000	100.00000
beverages(nonalcoholic):	5.00000	50.00000
beverages(alcoholic):	2.50000	25.00000
breakfast cereal:	5.00000	50.00000
cheese:	-	-
chewing gum:	10.00000	100.00000
condiments / relishes:	-	-
confectionery froastings:	5.00000	50.00000
egg products:	-	-
fats / oils:	5.00000	50.00000
fish products:	-	-
frozen dairy:	5.00000	50.00000
fruit ices:	5.00000	50.00000
gelatins / puddings:	5.00000	50.00000
granulated sugar:	-	-
gravies:	-	-
hard candy:	10.00000	100.00000
imitation dairy:	2.50000	25.00000
instant coffee / tea:	5.00000	50.00000
jams / jellies:	2.50000	25.00000
meat products:	-	-
milk products:	2.50000	25.00000
nut products:	5.00000	50.00000
other grains:	5.00000	50.00000
poultry:	-	-
processed fruits:	-	-
processed vegetables:	-	-
reconstituted vegetables:	-	-
seasonings / flavors:	10.00000	100.00000
snack foods:	2.50000	25.00000
soft candy:	5.00000	50.00000
soups:	2.50000	25.00000
sugar substitutes:	-	-
sweet sauces:	2.50000	25.00000

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):26516-27-8

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :13129857

National Institute of Allergy and Infectious Diseases:Data

ethyl 3-methyl-2-oxopentanoate

Chemidplus:0026516278