hexyl heptanoate

General Material Information

Preferred name	hexyl heptanoate
Trivial Name	Hexyl heptanoate
Short Description	heptanoic acid, hexyl ester
Formula	C13 H26 O2
CAS Number	1119-06-8
FEMA Number	4337
FDA UNII	G02H8871NA
Nikkaji Number	J115.082K
xLogP3-AA	4.90 (est)
NMR Predictor	External link
JECFA Food Flavoring	1872 hexyl heptanoate
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	1119-06-8 ; HEXYL HEPTANOATE
Synonyms	heptanoic acid hexyl ester heptanoic acid, hexyl ester hexyl enanthate 1-Hexyl heptanoate

Publications by PubMed
Synthesis of alkyl esters by cutinase in miniemulsion and organic solvent media.
Biosynthesis of straight-chain ester volatiles in red delicious and granny smith apples using deuterium-labeled precursors.

(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):	HMDB32326
FooDB:	FDB009576
ChemSpider:	View

Axsyn	M&U International
Penta International	M&U International LLC
Penta International Corporation

Material listed in food chemical codex	No
Molecular weight	214.34861755371
Specific gravity	@ 20 °C
Pounds per Gallon	7.164 to 7.206
Refractive Index	1.426 to 1.43 @ 20 °C
Boiling Point	252 to 253°C @ 760 mm Hg
Acid Value	1 max KOH/g
Vapor Pressure	0.014 mmHg @ 25 °C
Flash Point TCC Value	109.44 °C TCC
logP (o/w)	5.371 est
Solubility
alcohol	Yes
water, 1.132 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Green
foliage, green, leafy, cognac
General comment	At 100.00 %. dank foliage mallow leaves green


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 heptanoate usage levels up to:
	6.0000 % 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:		-	-
beverages(nonalcoholic):		0.20000	1.00000
beverages(alcoholic):		0.40000	2.00000
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	-
fruit ices:		0.50000	2.50000
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		1.00000	5.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		0.50000	2.50000
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 :517970

National Institute of Allergy and Infectious Diseases:Data

hexyl heptanoate

Chemidplus:0001119068