Fragrance Demo Formulas Flavor Demo Formulas |
(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one (50% min.) (Click)
IUPAC Name: (E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one (50% min.)
Std.InChI: InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
InChI: InChI=1/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
Std.InChIKey: JRJBVWJSTHECJK-PKNBQFBNSA-N
InChIKey: JRJBVWJSTHECJK-PKNBQFBNBZ
SMILES: CC1=CCCC(C1/C=C(\C)/C(=O)C)(C)C
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CAS Number: | 127-51-5 |
% from: | 50.00% to 59.00% |
ECHA EC Number: | 204-846-3 |
FDA UNII: | 9XP4LC555B |
FEMA Number: | 2714 |
CoE Number: | 169 |
XlogP3-AA: | 3.30 (est) |
Molecular Weight: | 206.32854000 |
Formula: | C14 H22 O |
NMR Predictor: | Predict |
Also(can) Contains: | (E)-alpha-methyl ionone (74-80%) 14.00% to 31.00% |
| beta-isomethyl ionone 3.00% to 7.00% |
| (E)-beta-methyl ionone 1.00% to 4.00% |
| pseudomethyl ionone 0.10% to 2.00% |
Category: | flavor and fragrance agents |
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US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: |
Google Scholar: | Search |
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US Patents: | Search |
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Pubchem Patents: | Search |
JECFA Food Flavoring: | 404 alpha-isomethylionone (50% min.) |
Flavis Number: | 07.036 (Old) |
EU SANCO Food Flavourings: | 07.036 alpha-isomethyl ionone
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FEMA Number: | 2714 alpha-isomethylionone (50% min.) |
FDA Mainterm: | ALPHA-ISOMETHYLIONONE |
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.
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Physical Properties:
Appearance: | colorless to yellow clear oily liquid (est) |
Assay: | 98.00 to 100.00 % sum of isomers
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.92500 to 0.93500 @ 25.00 °C.
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Pounds per Gallon - (est).: | 7.697 to 7.780
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Refractive Index: | 1.49650 to 1.50400 @ 20.00 °C.
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Boiling Point: | 76.00 °C. @ 0.30 mm Hg
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Boiling Point: | 231.00 to 232.00 °C. @ 760.00 mm Hg
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Acid Value: | 1.00 max. KOH/g
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Vapor Pressure: | 0.006000 mm/Hg @ 20.00 °C. |
Vapor Density: | 7.0 ( Air = 1 ) |
Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. )
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logP (o/w): | 4.315 |
Shelf Life: | 36.00 month(s) or longer if stored properly. |
Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
Organoleptic Properties:
Odor Type: | floral |
Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
Odor Description: at 10.00 % in dipropylene glycol. | violet sweet orris powdery floral woody Luebke, William tgsc, (1985) |
Odor sample from: | Union Camp Corporation |
Substantivity: | 124 Hour(s) |
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Cosmetic Information:
Suppliers:
Augustus Oils |
Methyl Ionone
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Azelis |
METHYL IONONE GAMMA
|
Berjé |
Methyl Ionone Gamma
|
CG Herbals |
Methyl Ionone
Odor: Woody, floral, violet, orris Use: Used in many floral fragrances, particularly violet. Blends with and support woody, leathery, and oriental accords. |
Fleurchem |
ionone, gamma methyl
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Global Essence |
Methyl Ionone Gamma
|
IFF |
METHYL IONONE GAMMA A
Odor: Woody, Floral, Violet Use: Woody, tobacco, floral (orris and violet). Powdery tone. Great strength as both top and body notes. Excellent performance to cost ratio. |
IFF |
METHYLYL IONONE GAMMA PURE
Odor: Woody, Floral, Violet Use: Woody, tobacco, floral (orris and violet). Powdery tone. Great strength as both top note and body notes. Excellent performance to cost ratio. |
Kun Shan P&A |
Methyl Ionone Gamma A
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Kun Shan P&A |
Methyl Ionone Gamma Coeur
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Lansdowne Chemicals |
Methyl Ionone Pure
|
Miltitz Aromatics |
METHYLIONONE GAMMA 90D
min. 85 % Odor: Fine violet character Use: Extremely versatile, may be used as modifier, supporter and blender for floral, woody and leather notes. |
Miltitz Aromatics |
METHYLIONONE GAMMA D
min. 60 – 70 % Odor: Mild flowery, woody violet note, somewhat orris-like and dry Use: METHYLIONONE GAMMA D is widely used in floral, woody and oriental compositions for imparting volume and substantivity. Main uses are in household and cosmetic products as well as in fine fragrances. |
Penta International |
METHYL IONONE GAMMA EXTRA, Kosher
| Penta International |
METHYL IONONE GAMMA REGULAR, Kosher
| Phoenix Aromas & Essential Oils |
Gamma-Methyl Ionone
|
Privi Organics |
Violetone Coeur
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SRS Aromatics |
METHYL IONONE GAMMA 90 D
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SRS Aromatics |
METHYL IONONE GAMMA D
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SRS Aromatics |
METHYL IONONE GAMMA
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Taytonn |
Methyl Ionone Gamma A
Odor: Floral, Powder/ Powdery, Tobacco, Woody |
The John D. Walsh Company |
Methyl Ionone Gamma 70
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The John D. Walsh Company |
Methyl Ionone Gamma Coeur
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The John D. Walsh Company |
Methyl Ionone Gamma Extra
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The John D. Walsh Company |
Methyl Ionone Gamma Pure
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The John D. Walsh Company |
Methyl Ionone Gamma
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Treatt |
Alpha-isoMethyl Ionone
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Safety Information:
European information : |
Most important hazard(s): | Xi N - Irritant, Dangerous for the environment. |
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R 38 - Irritating to skin. R 43 - May cause sensitisation by skin contact. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 37 - Wear suitable gloves.
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
Skin sensitisation (Category 1), H317
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GHS Label elements, including precautionary statements |
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Pictogram | |
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Signal word | Warning |
Hazard statement(s) |
H317 - May cause an allergic skin reaction
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Precautionary statement(s) |
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P272 - Contaminated work clothing should not be allowed out of the workplace. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P333 + P313 - IF SKIN irritation or rash occurs: Get medical advice/attention. P363 - Wash contaminated clothing before reuse. P501 - Dispose of contents/ container to an approved waste disposal plant.
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Oral/Parenteral Toxicity: | |
oral-rat LD50 > 5000 mg/kg Dispose of contents/ container to an approved waste disposal plant.
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Dermal Toxicity: | |
skin-rabbit LD50 > 5000 mg/kg Dispose of contents/ container to an approved waste disposal plant.
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Inhalation Toxicity: | |
Not determined
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Safety in Use Information:
Category: | flavor and fragrance agents |
IFRA Critical Effect: | Sensitization |
IFRA Other Specification: | <= 2% Pseudomethylionone |
IFRA: | View Standard |
Fragrance usage is IFRA RESTRICTED. View Standard for complete information. |
Please review all IFRA documents for complete information. |
IFRA categories: limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.) |
Category 1: See Note (1) | 2.00 % (1) |
Category 2: | 2.60 % |
Category 3: | 10.60 % |
Category 4: | 31.70 % |
Category 5: | 16.70 % |
Category 6: | 50.70 % (1) |
Category 7: | 5.30 % |
Category 8: | 2.00 % |
Category 9: | 5.00 % |
Category 10: | 2.50 % |
Category 11: | See Note (2) |
| Notes: |
| For this material, for pragmatic reasons, restrictive levels allowed by the QRA for certain categories but actually being higher than those already in place before applying the QRA, will temporarily not be implemented until the end of a 5 year monitoring phase. At the end of the 5 years the position will be reevaluated again. |
| (1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org). |
| (2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product. |
Recommendation for alpha-isomethyl ionone (50% min.) flavor usage levels up to: | | 25.0000 ppm in the finished product.
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Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Natural Occurrence in: note
Synonyms:
3- | buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)- | | gammanolene | | iraldeine gamma | iso | iraldeine pure | | irisantheme | alpha-iso | methyl ionone | iso-alpha- | methyl ionone | gamma- | methyl ionone (so called) | | methyl ionone gamma | | methyl ionone gamma A | | methyl ionone gamma coeur | | methyl ionone gamma extra | | methyl ionone gamma pure | | methyl ionone gamma regular | | methyl ionone gamma supreme | | methyl ionone gamma suprime | (E)-3- | methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one (50% min.) | (3E)-3- | methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one | 3- | methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one | (E)-3- | methyl-4-(2,6,6-trimethyl-cyclohex-2-enyl)-but-3-en-2-one | (3E)-3- | methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one | (3E)-3- | methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one | alpha-iso | methylionone (50% min.) | | methylionone gamma D | | methylyl ionone gamma pure | | raldeine gamma | 4,2,6,6- | trimethyl-2-cyclohexen-1-yl-3-methyl-3-buten-2-one |
Articles:
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click on the picture(s) below to interact with the 3D model |
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Soluble in: |
| alcohol | | dipropylene glycol | | paraffin oil | | water, 2.98 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Stability: |
| acid cleaner | | alcoholic lotion | | deo stick | | detergent perborate | | fabric softener | | hair spray | | hard surface cleaner | | liquid detergent | | non-discoloring in most media | | shampoo | | soap |
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