methyl ionyl acetate

General Material Information

Preferred name	methyl ionyl acetate
Trivial Name	1,2-Dimethyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-propen-1-yl acetate
Short Description	alpha-isomethylionyl acetate
Formula	C16 H26 O2
CAS Number	68555-61-3
FEMA Number	3845
ECHA Number	271-437-4
FDA UNII	65HMI3WU1Q
Nikkaji Number	J309.198H
xLogP3-AA	4.20 (est)
NMR Predictor	External link
JECFA Food Flavoring	1410 alpha-isomethylionyl acetate
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	68555-61-3 ; ALPHA-ISOMETHYLIONYL ACETATE
Synonyms	3-buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, acetate 1,2-dimethyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl) propen-1-yl acetate 1,2-dimethyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)propen-1-yl acetate methyl a-ionylacetate alpha-iso methyl ionyl acetate alpha-iso- methyl ionyl acetate [(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl] acetate methyl-a-ionyl acetate alpha-iso methylionyl acetate iso methylionyl acetate, a- [(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl] acetate 3-Buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, 2-acetate 3-Buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, acetate 1,2-Dimethyl-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-propen-1-yl acetate

(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):	HMDB37631
FooDB:	FDB016747
Export Tariff Code:	2915.39.9500
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	250.38162231445
Specific gravity	@ 25 °C
Pounds per Gallon	7.739 to 7.822
Refractive Index	1.47 to 1.48 @ 20 °C
Acid Value	1 max KOH/g
Vapor Pressure	0.001 mmHg @ 25 °C
Vapor Density	1
Flash Point TCC Value	98.89 °C TCC
logP (o/w)	5.824 est
Solubility
alcohol	Yes
water, 0.1544 mg/L @ 25 °C (est)	Yes

Odor Type: Floral
powdery, violet, woody, vetiver, fruity, floral
General comment	At 10.00 % in dipropylene glycol. powdery violet woody vetiver fruity floral
Mosciano, Gerard P&F 25, No. 1, 49, (2000)	At 1.00 % in ethyl alcohol. Powdery, perfumey, woody with fruity and floral nuances. It has an interesting floral character on dry down
Flavor Type: Woody
woody, powdery, floral, violet, berry, cherry, licorice, candy
Mosciano, Gerard P&F 25, No. 1, 49, (2000)	At 1.00 - 20.00 ppm. Woody, powdery, floral with ionone and berry nuances. It has a lingering cherry-red licorice-candy aftertaste
Used for powdery, perfumery notes and for woody notes in flavors.	Woody powdery

Applications	flavor and fragrance agents
Odor purposes	Blackberry, Blueberry, Cherry, Floral, Raspberry, Strawberry, Vetiver, Woody
Flavoring purposes	Licorice red licorice, Tomato

European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.

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 methyl ionyl acetate usage levels up to:
	8.0000 % 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: 18
Click here to view publication 18
		average usual ppm	average maximum ppm
baked goods:		0.15000	3.00000
beverages(nonalcoholic):		0.05000	1.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		0.50000	5.00000
condiments / relishes:		-	-
confectionery froastings:		0.10000	2.00000
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		0.10000	2.00000
fruit ices:		0.07000	1.50000
gelatins / puddings:		0.20000	2.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		0.25000	4.00000
imitation dairy:		0.10000	2.00000
instant coffee / tea:		-	-
jams / jellies:		0.10000	2.00000
meat products:		-	-
milk products:		0.10000	2.00000
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		0.12000	2.50000
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):68555-61-3

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6437467

National Institute of Allergy and Infectious Diseases:Data

[(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl] acetate

Chemidplus:0068555613