dimethyl alpha-ionone

General Material Information

Preferred name	dimethyl alpha-ionone
Trivial Name	Dimethylionone
Short Description	1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-1-penten-3-one
Formula	C15 H24 O
CAS Number	72117-72-7
FDA UNII	Search
Nikkaji Number	J69.505J
Beilstein Number	2616019
xLogP3-AA	3.80 (est)
NMR Predictor	External link
Synonyms	alpha- cyclocitrylidene-4-methyl butan-3-one 1,3-dimethyl-a-ionone 1,3-dimethyl-alpha-ionone (E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl) pent-1-en-3-one (E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one 2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-penten-3-one 1-penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl- 1-penten-3-one, 2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-1-penten-3-one (E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one 1-Penten-3-one, 2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- 2-Methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-penten-3-one Dimethylionone

(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
HMDB (The Human Metabolome Database):	Search
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	220.35548400879
Boiling Point	302 to 303°C @ 760 mm Hg
Vapor Pressure	0.001 mmHg @ 25 °C
Flash Point TCC Value	131.67 °C TCC
logP (o/w)	4.588 est
Shelf life	12 months (or longer if stored properly.)
Storage notes	Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol	Yes
water, 0.9577 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Floral
floral, violet, sweet, powdery, woody
Odor strength	medium , recommend smelling in a 10.00 % solution or less
Substantivity	96 hour(s) at 100.00 %
Luebke, William tgsc, (1987)	At 10.00 % in dipropylene glycol. floral violet sweet powdery woody
More floral than gamma-methyl ionone. Diffusive orris character is less woody. Excellent performer in all product types.	Powdery, woody, wonderful orris-violet

Applications	fragrance agents
Odor purposes	Amber, Autumn, Banana, Blueberry, Bouquet, Boxwood, Boysenberry, Butterscotch, Cedar forest, Cherry black cherry, Clover, Country meadow, Cucumber, Dillenia, Fern, Fir balsam, Floral, Freesia, Genet, Gooseberry, Hibiscus, Honeysuckle, Huckleberry, Incense, Iris blossom, Jonquil, Kiwi blossom, Lily, Lily of the valley, Loganberry, Lotus, Magnolia, Mango, Mango flower, Millefleurs, Mulberry, Musk, Oriental, Orris, Pansy, Passion blossom, Peony, Petunia, Plum, Plum blossom, Powder, Quince, Raspberry, Reseda, Rose, Scented stock, Sweet grass, Sweet pea, Tuberose, Vanilla, Violet, Woody
Flavoring purposes	Fruit tropical fruit, Soda cream soda, Tropical

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes. 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 - 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:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Other Specification:
Recommendation for dimethyl alpha-ionone usage levels up to:
	5.0000 % in the fragrance concentrate.

Recommendation for dimethyl alpha-ionone flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):72117-72-7

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6441344

National Institute of Allergy and Infectious Diseases:Data

(E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one

Chemidplus:0072117727