methyl ionyl acetate
alpha-isomethylionyl acetate

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  Product(s):
  68555-61-3 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-olacetate

Name: [(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl] acetate CAS Number: 68555-61-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 271-437-4 FDA UNII: 65HMI3WU1Q Nikkaji Web: J309.198H XlogP3-AA: 4.20 (est) Molecular Weight: 250.38162000 Formula: C16 H26 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavor and fragrance agents   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: 1410 alpha-isomethylionyl acetate FEMA Number: 3845 alpha-isomethylionyl acetate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 68555-61-3 ; ALPHA-ISOMETHYLIONYL ACETATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 94.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 0.93000 to 0.94000 @ 25.00 °C. Pounds per Gallon - (est).: 7.739 to 7.822 Refractive Index: 1.47000 to 1.48000 @ 20.00 °C. Boiling Point: 90.00 °C. @ 1.00 mm Hg Acid Value: 1.00 max. KOH/g Vapor Pressure: 0.001000 mmHg @ 25.00 °C. (est) Vapor Density: >1 ( Air = 1 ) Flash Point: 210.00 °F. TCC ( 98.89 °C. ) logP (o/w): 5.824 (est) Soluble in:   alcohol   water, 0.1544 mg/L @ 25 °C (est)   Organoleptic Properties: Odor Type: floral powdery violet woody vetiver fruity floral Odor Description:at 10.00 % in dipropylene glycol. powdery violet woody vetiver fruity floral powdery woody fruity floral Odor Description:at 1.00 % in ethyl alcohol. Powdery, perfumey, woody with fruity and floral nuances. It has an interesting floral character on dry down Mosciano, Gerard P&F 25, No. 1, 49, (2000) Flavor Type: woody woody powdery floral violet berry cherry licorice candy Taste Description: at 1.00 - 20.00 ppm. Woody, powdery, floral with ionone and berry nuances. It has a lingering cherry-red licorice-candy aftertaste Mosciano, Gerard P&F 25, No. 1, 49, (2000) Odor and/or flavor descriptions from others (if found). Bedoukian Research alpha-ISOMETHYL IONYL ACETATE ≥94.0%, Kosher Odor Description:A soft violet, vetiver acetate odor Interesting floral character on dry down. Also can be used for woody, fruity notes. Taste Description:woody powdery Used for powdery, perfumery notes and for woody notes in flavors.   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-olacetate Parchem methyl ionyl acetate   Safety Information: 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   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 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: - -   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):68555-61-3 EPA ACToR:Toxicology Data 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   References:   [(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl] acetate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 6437467 Pubchem (sid): 135064767   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): HMDB37631 FooDB: FDB016747 Export Tariff Code: 2915.39.9500 ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these (E)-beta- methyl ionone FL/FR acidic acidic cyclohexyl acetic acid FL/FR aldehydic 3- methyl-4-hexyl oxybutyraldehyde FR amber amber spirolene FR ambrette seed oil FL/FR formoxymethyl isolongifolene FR anisic ortho- acetanisole FL/FR para- acetanisole FL/FR para- anisaldehyde FL/FR ortho- anisaldehyde FL/FR balsamic iso amyl cinnamate FL/FR benzophenone FR iso butyl benzoate FL/FR cinnamyl alcohol FL/FR (E)- cinnamyl alcohol FL/FR cinnamyl formate FL/FR ethyl cinnamate FL/FR peru balsam oil FL/FR chocolate cocoa oleoresin FL/FR cocoa pentenal FL/FR citrus citronellone FR (R)- citronellyl nitrile FR citronitrile (Symrise) FR 2- heptanol FL/FR coumarinic phthalide FL/FR creamy para- vanillic acid FL/FR fatty butyl undecylenate FL/FR fermented methyl decanoate FL/FR floral acetal 318 FR iso amyl angelate FL/FR para- anisaldehyde / methyl anthranilate schiff's base FR anisyl propanal / methyl anthranilate schiff's base FR benzyl acetate FL/FR benzyl acetoacetate FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR blue lagoon fragrance FR boronia absolute FL/FR (S)- citronellyl acetate FL/FR citronellyl butyrate FL/FR citronellyl hexanoate FL/FR (E)- citronellyl tiglate FL/FR 3- cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester FR cymbopogon validus leaf oil FR dihydro-alpha-ionone FL/FR dimethyl alpha-ionone FR dimethyl anthranilate FL/FR dimethyl benzyl carbinyl acetate FL/FR 4- dimethyl ionone FR 3,6- dimethyl-3-octyl acetate FR ethyl anthranilate FL/FR ethyl ethyl anthranilate FL/FR eucalyptus macarthurii oil FR gardenia decalone FR geraniol FL/FR geranyl isobutyrate FL/FR geranyl phenyl acetate FL/FR heliotropin FL/FR hibiscus fragrance FR hibiscus sabdariffa flower extract FL/FR alpha- ionone FL/FR (E)-beta- ionone FL/FR beta- ionone FL/FR ionone mixed isomers FL/FR iris specialty FR alpha- irone FL/FR jasmin cyclopentanone FR iso jasmone FL/FR laevo- linalool FL/FR linalyl butyrate FL/FR magnolia flower oil CO2 extract FL/FR magnolia specialty FR menthadienyl formate FR ortho- methoxybenzyl ethyl ether FR methoxymelonal FL/FR 1-(2- methyl allyl oxy)-3-methoxy-3-methyl-1-butane FR para- methyl benzyl acetate FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR N- methyl ionone FR beta-iso methyl ionone FL/FR alpha-iso methyl ionone (50% min.) FL/FR alpha-iso methyl ionone (60% min.) FL/FR alpha-iso methyl ionone (70% min.) FL/FR alpha-iso methyl ionone (80% min.) FL/FR alpha-iso methyl ionone (90% min.) FL/FR beta- naphthyl anthranilate FL/FR pink nelumbo nucifera flower absolute FR white nelumbo nucifera flower absolute FR white nelumbo nucifera flower concrete FR 3- nonanon-1-yl acetate FL/FR orris butenone FR orris rhizome absolute (iris germanica) FL/FR orris rhizome absolute (iris pallida) FL/FR orris rhizome concrete butter (iris pallida) FL/FR orris rhizome oil (iris germanica) FL/FR orris rhizome resinoid (iris pallida) FL/FR osmanthus absolute replacer FR osmanthus concrete FL/FR petitgrain mandarin oil FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR 4- phenyl-3-buten-2-ol FL/FR iso propyl benzoate FL/FR iso propyl phenyl acetate FL/FR rhodinol FL/FR rhodinyl butyrate FL/FR rhodinyl phenyl acetate FL/FR rose undecene FR souroubea specialty FR star fruit oil cuba FL/FR styralyl propionate FL/FR terpinyl valerate FL/FR tetrahydroionol FR tetrahydroionyl acetate FR (E)-2,5,9- trimethyl-4,9-decadien-1-al FR vetiver pentanone FR fruity acetyl methyl anthranilate FL/FR allyl benzoate FR apricot essence FL/FR benzaldehyde / methyl anthranilate schiff's base FR benzyl propionate FL/FR benzyl valerate FL/FR berry hexanoate FR butyl 2-naphthyl ether FL/FR iso butyl furyl propionate FL/FR cherry oxyacetate FL/FR citronellyl isobutyrate FL/FR beta- damascone FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR (R)-gamma- dodecalactone FL/FR eriocephalus punctulatus flower oil FR ethyl benzoyl acetate FL/FR ethyl methyl-para-tolyl glycidate FL/FR geranyl acetoacetate FL/FR ginsene FR beta- ionone epoxide FL/FR linalool oxide acetates FL/FR 3- mercaptohexyl acetate FL/FR methyl bicycloheptenyl methyloxirane carboxylate FR methyl isobutyrate FL/FR (E)-7- methyl-3-octen-2-one FL/FR (±)-3- methyl-gamma-decalactone FL/FR myrascone FR 2- nonanone propylene glycol acetal FL/FR alpha- ocimene FL/FR peach nitrile FR peach pivalate FR plum damascone (high alpha) FR sambucus canadensis fruit absolute FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR (R)- styralyl acetate FL/FR tolualdehydes (mixed o,m,p) FL/FR 4-(para- tolyl)-2-butanone FL/FR cis- woody acetate FR green iso amyl 3-(2-furan) propionate FL/FR bergoxane FR hexyl phenyl acetate FL/FR para- methyl hydratropaldehyde FL/FR neryl butyrate FL/FR phenoxyethyl isobutyrate FL/FR 1-[(3aS,7aR)-3a,4,7,7a- tetrahydro-1H-inden-6-yl]ethanone FR herbal bornane-3,1-cyclopenta-2-one FR chamomile isobutyrate FR chamomile propionate FR freesia heptanol FL/FR geranium cyclohexane FR methyl cyclogeranate (Firmenich) FR tagete oil madagascar FL/FR medicinal ortho- cresyl acetate FL/FR musk cyclohexadecanone FR ethylene brassylate FL/FR exaltone (Firmenich) FR dextro,laevo- muscone FL/FR musk amberol FR musk indane FR musk tetralin FL/FR omega- pentadecalactone FL/FR musty cocoa butenal FL/FR naphthyl para- methyl anisole FL/FR beta- naphthyl ethyl ether FL/FR nutty 2,3,5- trimethyl pyrazine FL/FR powdery para- anisyl acetate FL/FR para- anisyl alcohol FL/FR alpha- methyl ionone FL/FR (E)-alpha- methyl ionone (44-50%) FL/FR (E)-alpha- methyl ionone (50-60%) FL/FR (E)-alpha- methyl ionone (74-80%) FL/FR spicy honey extract CS spicy acetoacetate FL/FR tonka mint lactone FL/FR tropical triflaige A (ZEON) FR vanilla heliotropyl alcohol FL/FR vanillyl acetate FL/FR vanillylidene acetone FL/FR waxy dihydrocitronellyl acetate FL/FR (E)- methyl geranate FL/FR orris rhizome oil CO2 extract FL/FR phytyl acetate FL/FR woody agarwood oil replacer FR amber formate FR cedryl formate FR 2- decalinyl acetate FR diethyl dimethyl-2-cyclohexenone FR guaiacwood extract acetate FR guaiacwood oil FL/FR melozol acetate FR methyl cedryl ketone FL/FR iso methyl tetrahydroionyl acetate FR rhubarb oxirane FR santalyl acetate FL/FR (+)-alpha- santalyl acetate FL/FR timber propanol FR 1-(5',5',6'- trimethyl bicyclo(2.2.1)hept-2'-yl) propan-2-one FR vetiveryl acetate FL/FR vetylbois FR violet propanol FR (Z)- woody amylene FR woody epoxide FR For Flavor No flavor group found for these 1- acetyl cyclohexyl acetate FL iso amyl angelate FL/FR benzyl valerate FL/FR butyl 2-naphthyl ether FL/FR 2- butyl thiophene FL (E)- cinnamyl alcohol FL/FR ortho- cresyl acetate FL/FR dihydrocitronellyl acetate FL/FR S-(2,5- dimethyl-3-furyl) ethane thioate FL (R)-gamma- dodecalactone FL/FR ethyl 3-hydroxyoctanoate FL ethyl ethyl anthranilate FL/FR heliotropyl alcohol FL/FR 4- hydroxyphenethyl alcohol FL beta- ionone epoxide FL/FR ionone mixed isomers FL/FR linalool oxide acetates FL/FR magnolia flower oil CO2 extract FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR (E)- methyl geranate FL/FR (E)-beta- methyl ionone FL/FR beta-iso methyl ionone FL/FR (E)-alpha- methyl ionone (44-50%) FL/FR (E)-alpha- methyl ionone (50-60%) FL/FR alpha-iso methyl ionone (60% min.) FL/FR 2- nonanone propylene glycol acetal FL/FR alpha- ocimene FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR iso propyl benzoate FL/FR (+)-alpha- santalyl acetate FL/FR (R)- styralyl acetate FL/FR vetiveryl acetate FL/FR vitispirane FL iso amyl 3-(2-furan) propionate FL/FR benzyl acetoacetate FL/FR iso butyl furyl propionate FL/FR beta- damascone FL/FR amber amber ambrette seed oil FL/FR musk tetralin FL/FR anisic para- acetanisole FL/FR ortho- anisaldehyde FL/FR balsamic ethyl cinnamate FL/FR peru balsam oil FL/FR vanillylidene acetone FL/FR berry dihydro-alpha-ionone FL/FR hibiscus sabdariffa flower extract FL/FR burnt ethyl 2-furoate FL cherry heliotropin FL/FR chocolate cocoa oleoresin FL/FR citrus freesia heptanol FL/FR laevo- linalool FL/FR petitgrain mandarin oil FL/FR styralyl propionate FL/FR coconut 6- methyl coumarin FL coumarinic phthalide FL/FR creamy para- anisaldehyde FL/FR mint lactone FL/FR para- vanillic acid FL/FR ethereal methyl isobutyrate FL/FR fatty methyl decanoate FL/FR (E)-7- methyl-3-octen-2-one FL/FR floral iso amyl cinnamate FL/FR (S)- citronellyl acetate FL/FR citronellyl hexanoate FL/FR cocoa pentenal FL/FR dimethyl benzyl carbinyl acetate FL/FR geraniol FL/FR geranyl isobutyrate FL/FR geranyl phenyl acetate FL/FR alpha- ionone FL/FR linalyl butyrate FL/FR 2- methyl butyl 3-methyl butenoate FL alpha-iso methyl ionone (50% min.) FL/FR alpha-iso methyl ionone (70% min.) FL/FR (E)-alpha- methyl ionone (74-80%) FL/FR alpha-iso methyl ionone (80% min.) FL/FR alpha-iso methyl ionone (90% min.) FL/FR orris rhizome concrete butter (iris pallida) FL/FR orris rhizome oil (iris germanica) FL/FR orris rhizome resinoid (iris pallida) FL/FR rhodinol FL/FR rhodinyl butyrate FL/FR fruity acetyl methyl anthranilate FL/FR para- anisyl acetate FL/FR para- anisyl alcohol FL/FR apricot essence FL/FR benzyl acetate FL/FR benzyl formate FL/FR benzyl isobutyrate FL/FR benzyl propionate FL/FR boronia absolute FL/FR iso butyl benzoate FL/FR cherry oxyacetate FL/FR citronellyl butyrate FL/FR citronellyl isobutyrate FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR dimethyl anthranilate FL/FR ethyl anthranilate FL/FR ethyl benzoyl acetate FL/FR ethyl methyl-para-tolyl glycidate FL/FR 2- heptanol FL/FR hexyl phenyl acetate FL/FR 2- hexyl-4-acetoxytetrahydrofuran FL methoxymelonal FL/FR para- methyl benzyl acetate FL/FR alpha- methyl ionone FL/FR beta- naphthyl anthranilate FL/FR 3- nonanon-1-yl acetate FL/FR osmanthus concrete FL/FR phenethyl isovalerate FL/FR sambucus canadensis fruit absolute FL/FR star fruit oil cuba FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR tagete oil madagascar FL/FR terpinyl valerate FL/FR tolualdehydes (mixed o,m,p) FL/FR 4-(para- tolyl)-2-butanone FL/FR green cinnamyl alcohol FL/FR (E)- citronellyl tiglate FL/FR cocoa butenal FL/FR iso jasmone FL/FR para- methyl hydratropaldehyde FL/FR neryl butyrate FL/FR phenoxyethyl isobutyrate FL/FR honey phenethyl isobutyrate FL/FR iso propyl phenyl acetate FL/FR meaty ortho- thioguaiacol FL musk ethylene brassylate FL/FR dextro,laevo- muscone FL/FR musty geranyl acetoacetate FL/FR 2,3,5- trimethyl pyrazine FL/FR naphthyl para- methyl anisole FL/FR nutty phytyl acetate FL/FR powdery ortho- acetanisole FL/FR beta- naphthyl ethyl ether FL/FR powdery ketone FL spicy cinnamyl formate FL/FR spicy acetoacetate FL/FR sweet cyclohexyl acetic acid FL/FR orris rhizome absolute (iris germanica) FL/FR orris rhizome absolute (iris pallida) FL/FR tropical 3- mercaptohexyl acetate FL/FR vanilla omega- pentadecalactone FL/FR vanillyl acetate FL/FR waxy butyl undecylenate FL/FR (±)-3- methyl-gamma-decalactone FL/FR 4- phenyl-3-buten-2-ol FL/FR rhodinyl phenyl acetate FL/FR woody guaiacwood oil FL/FR (E)-beta- ionone FL/FR beta- ionone FL/FR alpha- irone FL/FR methyl cedryl ketone FL/FR orris rhizome oil CO2 extract FL/FR santalyl acetate FL/FR   Potential Uses: FR blackberry FR blueberry FR cherry FR floral FL licorice red licorice FR raspberry FR strawberry FL tomato FR vetiver FR woody   Occurrence (nature, food, other):note   not found in nature   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-   Articles:   None found yet. 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Notes: Flavouring ingredient for candies etc.