2-pentyl 2-methyl pentanoate

General Material Information

Trivial Name	2-pentyl 2-methyl pentanoate
Short Description	2-pentyl 2-methylpentanoate
Formula	C11 H22 O2
CAS Number	90397-36-7
FEMA Number	4401
FDA UNII	F9V9W3014W
xLogP3-AA	3.70 (est)
NMR Predictor	External link
JECFA Food Flavoring	2072 2-pentyl 2-methylpentanoate
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	90397-36-7 ; 2-PENTYL 2-METHYLPENTANOATE
Synonyms	2-methyl pentanoic acid 2-pentyl ester pentan-2-yl 2-methylpentanoate pentanoic acid, 2-methyl-, 1-methylbutyl ester (+/-)-2-pentyl 2-methylpentanoate 2-pentyl 2-methylpentanoate 2-pentyl 2-methylpentanoate, (+/-)-

(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):	Search
FooDB:	FDB010042
ChemSpider:	View
FAO:	2-Pentyl 2-methylpentanoate

Material listed in food chemical codex	No
Molecular weight	186.29473876953
Specific gravity	@ 20 °C
Pounds per Gallon	7.056 to 7.106
Refractive Index	1.41 to 1.46 @ 20 °C
Boiling Point	76 to 77°C @ 10 mm Hg
Solubility
water, 14.51 mg/L @ 25 °C (est)	Yes

Odor Type: Fruity
pear
General comment	At 10.00 % in dipropylene glycol. pear
Flavor Type: Fruity
pear
General comment	Pear


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:
flavoring agents
Recommendation for 2-pentyl 2-methyl pentanoate usage levels up to:
	not for fragrance use.

Structure Class:		I
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: 23
Click here to view publication 23
		average usual ppm	average maximum ppm
baked goods:		0.02000	0.10000
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		0.10000	0.50000
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		0.01000	0.05000
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		0.02000	0.10000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		0.01000	0.05000
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		2.50000	10.00000
soft candy:		0.02000	0.10000
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :57090934

National Institute of Allergy and Infectious Diseases:Data

pentan-2-yl 2-methylpentanoate

Chemidplus:0090397367