allyl nonanoate

General Material Information

Preferred name	allyl nonanoate
Trivial Name	Allyl nonanoate
Short Description	allyl pelargonate
Formula	C12 H22 O2
CAS Number	7493-72-3
FEMA Number	2036
Flavis Number	9.109
ECHA Number	231-334-7
FDA UNII	GKV2G6HUKE
Nikkaji Number	J118.084C
MDL	MFCD00038344
COE Number	390
xLogP3-AA	4.30 (est)
Bio Activity Summary	External link
NMR Predictor	External link
JECFA Food Flavoring	6 allyl nonanoate
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	7493-72-3 ; ALLYL NONANOATE
Synonyms	allyl nonan-1-oate allyl nonylate allyl pelargonate nonanoic acid 2-propenyl ester nonanoic acid allyl ester nonanoic acid, 2-propen-1-yl ester nonanoic acid, 2-propenyl ester nonanoic acid, allyl ester prop-2-en-1-yl nonanoate prop-2-enyl nonanoate 2-propenyl nonanoate 2-propenyl pelargonate NSC 20974

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

Google Scholar	Start search
Google Books	Start search
Google Patents	Start search
Perfumer & Flavorists	Start search
EU Patents	Start search
PubMeb	Start search
NCBI	Start search

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):	HMDB29763
FooDB:	FDB000969
Export Tariff Code:	2915.90.5050
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Suppliers

BOC Sciences	Inoue Perfumery
Penta International	Pfaltz & Bauer
Synerzine	TCI AMERICA
WholeChem	Penta International Corporation
Synerzine, Inc.	WholeChem, LLC

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	198.30574035645
Specific gravity	@ 25 °C
Pounds per Gallon	7.256 to 7.322
Refractive Index	1.43 to 1.436 @ 20 °C
Boiling Point	87 to 91°C @ 3 mm Hg
Vapor Pressure	0.018 mmHg @ 25 °C
Flash Point TCC Value	88.89 °C TCC
logP (o/w)	4.656 est
Solubility
alcohol	Yes
water, 4.709 mg/L @ 25 °C (est)	Yes
water	No

Organoleptic Properties

Odor Type: Waxy
sweet, waxy, fruity, winey, creamy, cortex, pineapple
General comment	At 100.00 %. sweet waxy fruity wine creamy vinous pineapple
Mosciano, Gerard P&F 17, No. 1, 41, (1992)	Sweet, waxy fruity, with a winey and creamy nuance
Flavor Type: Waxy
waxy, green, creamy, berry, fruity
General comment	Waxy green creamy berry fruity
Mosciano, Gerard P&F 17, No. 1, 41, (1992)	At 10.00 ppm. Waxy, slightly green with a creamy berry and fruity nuance

Occurrences

Potential Uses

Applications	flavor and fragrance agents
Odor purposes	Apple, Cognac, Pineapple, Wine
Flavoring purposes	Brandy
Cosmetic purposes	Perfuming agents

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 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.

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
IFRA Purity Specification:
Recommendation for allyl nonanoate usage levels up to:
	4.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.01 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		0.01 (μg/capita/day)
Structure Class:		II
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 ppm	average maximum ppm
baked goods:		3.00000	5.00000
beverages(nonalcoholic):		-	0.70000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		0.50000	3.00000
fruit ices:		0.50000	3.00000
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	5.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	1.00000
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):

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):7493-72-3

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :61410

National Institute of Allergy and Infectious Diseases:Data

SCCNFP:opinion

WGK Germany:3

prop-2-enyl nonanoate