hexyl nonanoate

General Material Information

Preferred name	hexyl nonanoate
Trivial Name	Nonanoic acid, hexyl ester
Short Description	nonanoic acid, hexyl ester
Formula	C15 H30 O2
CAS Number	6561-39-3
FEMA Number	4339
ECHA Number	229-488-5
FDA UNII	R71E988O4U
Nikkaji Number	J115.094D
xLogP3-AA	6.00 (est)
NMR Predictor	External link
JECFA Food Flavoring	1873 hexyl nonanoate
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	6561-39-3 ; HEXYL NONANOATE
Synonyms	hexyl nonan-1-oate hexyl pelargonate nonanoic acid hexyl ester nonanoic acid, hexyl ester

Publications by PubMed
Characterization of aroma compounds of Chinese famous liquors by gas chromatography-mass spectrometry and flash GC electronic-nose.
Dehalococcoides mccartyi gen. nov., sp. nov., obligately organohalide-respiring anaerobic bacteria relevant to halogen cycling and bioremediation, belong to a novel bacterial class, Dehalococcoidia classis nov., order Dehalococcoidales ord. nov. and family Dehalococcoidaceae fam. nov., within the phylum Chloroflexi.
Chain length dependency of fatty acid and carbamate binding to serum albumin.

(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):	HMDB32328
FooDB:	FDB009581
ChemSpider:	View

Axsyn	BOC Sciences
Inoue Perfumery

Material listed in food chemical codex	No
Molecular weight	242.40249633789
Specific gravity	@ 20 °C
Pounds per Gallon	7.148 to 7.189
Refractive Index	1.431 to 1.436 @ 20 °C
Boiling Point	291 to 292°C @ 760 mm Hg
Acid Value	1 max KOH/g
Vapor Pressure	0.002 mmHg @ 25 °C
Flash Point TCC Value	130 °C TCC
logP (o/w)	6.39 est
Solubility
alcohol	Yes
water, 0.1577 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Floral
brandy, green, vegetable, fruity
General comment	At 100.00 %. brandy green vegetable fruity

Applications	flavor and fragrance agents
Flavoring purposes	Brandy


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
Recommendation for hexyl nonanoate usage levels up to:
	12.0000 % 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: 23
Click here to view publication 23
		average usual ppm	average maximum ppm
baked goods:		0.40000	10.00000
beverages(nonalcoholic):		10.00000	100.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		10.00000	200.00000
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		0.40000	10.00000
fish products:		-	-
frozen dairy:		0.20000	2.00000
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		0.40000	10.00000
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:		-	-

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :81045

National Institute of Allergy and Infectious Diseases:Data

hexyl nonanoate

Chemidplus:0006561393