acetyl nonyryl

flavor and fragrance agents

2D:
3D:
CAS Number:	7493-59-6
ECHA EC Number:	231-330-5
FDA UNII:	25ODI8S42W
CoE Number:	155
Category:	flavor and fragrance agents
IUPAC Name:	acetyl nonyryl
InChI :	InChI=1/C11H20O2/c1-3-4-5-6-7-8-9-11(13)10(2)12/h3-9H2,1-2H3
Std.InChI:	InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-11(13)10(2)12/h3-9H2,1-2H3
InChIKey :	RMMFUALOIIVORL-UHFFFAOYAZ
Std.InChIKey:	RMMFUALOIIVORL-UHFFFAOYSA-N
SMILES :	CCCCCCCCC(=O)C(=O)C
Molar Refractivity :	53.06 ± 0.3 cm3 (est)
Parachor :	479.9 ± 4.0 cm3 (est)
Index of Refraction :	1.432 ± 0.02 (est)
Surface Tension :	30.4 ± 3.0 dyne/cm (est)
Density :	0.901 ± 0.06 g/cm3 (est)
Polarizability :	21.03 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	417 2,3-undecadione
DG SANTE Food Flavourings:	07.021 undeca-2,3-dione
FEMA Number:	3090 2,3-undecadione
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	7493-59-6 ; 2,3-UNDECADIONE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.

Physical Properties:

Appearance:	yellow clear oily liquid (est)
Assay:	98.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	109.00 to 111.00 °C. @ 10.00 mm Hg
Vapor Pressure:	0.049000 mmHg @ 25.00 °C. (est)
Flash Point:	189.00 °F. TCC ( 87.22 °C. )
logP (o/w):	2.226 (est)
Soluble in:
	alcohol
	water, very slightly
	water, 842.2 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

waxy aldehydic creamy fatty dairy waxy aldehydic rancid creamy fatty dairy vegetable creamy coconut milky aldehydic creamy buttery dairy waxy rancid fatty

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

Undecane-2,3-dione

CJ Latta & Associates

Safety Information:


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
Recommendation for acetyl nonyryl usage levels up to:
	0.1000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.0037 (μg/capita/day)
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
beverages(nonalcoholic):		-	1.50000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	3.00000
fruit ices:		-	3.00000
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	3.00000
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:		-	-

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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 11 (FGE.11): Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 11, Revision 1 (FGE.11Rev1) - Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :61404

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

undecane-2,3-dione

Chemidplus:0007493596

References:

	undecane-2,3-dione
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	7493-59-6
Pubchem (cid):	61404
Pubchem (sid):	135018886

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
HMDB (The Human Metabolome Database):	HMDB31843
FooDB:	FDB008526
ChemSpider:	View