alpha-ionyl acetate
3-buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, acetate

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  Taytonn ASCC Pte Ltd

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  alpha-Ionyl Acetate

Name: 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl acetate CAS Number: 52210-18-1 3D/inchi ECHA EINECS - REACH Pre-Reg: 257-738-3 FDA UNII: Search Beilstein Number: 3134520 XlogP3-AA: 3.60 (est) Molecular Weight: 236.35468000 Formula: C15 H24 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) Category: 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   Physical Properties: Appearance: colorless clear liquid (est) Assay: 90.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.93200 to 0.93700 @ 25.00 °C. Pounds per Gallon - (est).: 7.755 to 7.797 Refractive Index: 1.46900 to 1.47500 @ 20.00 °C. Boiling Point: 110.00 °C. @ 2.00 mm Hg Boiling Point: 80.00 °C. @ 4.00 mm Hg Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est) Vapor Density: >1 ( Air = 1 ) Flash Point: 210.00 °F. TCC ( 98.89 °C. ) logP (o/w): 5.405 (est) Soluble in:   alcohol   water, 0.5409 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: floral Odor Strength:medium Substantivity:24 hour(s) at 100.00 % sweet woody floral violet berry Odor Description:at 100.00 %. sweet woody floral violet berry Luebke, William tgsc, (1995) Odor sample from: Bedoukian Research, Inc. Odor and/or flavor descriptions from others (if found). Bedoukian Research alpha-IONYL ACETATE ≥91.0%, Kosher Odor Description:floral, vetiver violet For vetiver violet applications.   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: Taytonn ASCC alpha-Ionyl Acetate Odor: Floral, Vetivert   Safety Information: 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 24/25 - Avoid contact with skin and eyes. 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: oral-rat LDLo 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 363, 1988. Dermal Toxicity: skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 363, 1988. Inhalation Toxicity: Not determined   Safety in Use Information: Category: 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 alpha-ionyl acetate usage levels up to:   8.0000 % in the fragrance concentrate.   Recommendation for alpha-ionyl acetate flavor usage levels up to:   not for flavor use.   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):52210-18-1 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :103607 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl acetate Chemidplus:0052210181   References:   4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl acetate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 52210-18-1 Pubchem (cid): 103607 Pubchem (sid): 135060242   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 HMDB (The Human Metabolome Database): Search Export Tariff Code: 2915.39.9500 ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these pseudo-iso methyl ionone CS pseudo methyl ionone CS (E)-beta- methyl ionone FL/FR acidic acidic cyclohexyl acetic acid FL/FR alliaceous dibutyl sulfide FL/FR amber acetoxymethyl isolongifolene FR amber spirolene FR ambrette seed oil FL/FR formoxymethyl isolongifolene FR animal iso butyl quinoline FR methyl (E)-2-octenoate FL/FR anisic ortho- acetanisole FL/FR para- anisaldehyde FL/FR ortho- anisaldehyde FL/FR balsamic benzophenone FR brachyleana hutchinsii wood oil FR iso butyl benzoate FL/FR cinnamyl alcohol FL/FR ethyl cinnamate FL/FR guaiacyl phenyl acetate FL/FR peru balsam oil FL/FR berry sec- butyl ethyl ether FL/FR chocolate cocoa pentenal FL/FR citrus bergamot oil bergaptene reduced italy FL/FR citrus woody floral fragrance FR grapefruit indene FR grapefruit nitrile FR grapefruit pentanol FR myrcenyl acetate FL/FR coumarinic phthalide FL/FR creamy para- vanillic acid FL/FR earthy (Z)- linalool oxide (furanoid) FL/FR patchouli cyclohexanol FR floral para- anisaldehyde / methyl anthranilate schiff's base FR anisyl propanal / methyl anthranilate schiff's base FR boronia absolute FL/FR boronia butenal FR 4-tert- butyl cyclohexane carboxaldehyde FR cassie absolute FL/FR cassie concrete FR delta- damascone FL/FR dihydro-alpha-ionone FL/FR 2',4'- dimethyl acetophenone FL/FR dimethyl alpha-ionone FR dimethyl anthranilate FL/FR 2,4- dimethyl cyclohexyl methyl acetate FR 4- dimethyl ionone FR elder flower wood specialty FR geranyl phenyl acetate FL/FR heliotropin FL/FR ho wood oil FR alpha- ionol FL/FR beta- ionol FL/FR (E)-beta- ionone FL/FR alpha- ionone FL/FR beta- ionone FL/FR beta- ionyl acetate FL/FR alpha- irone FL/FR beta- irone FL/FR lavandula angustifolia flower oil FL/FR lavender oil france FL/FR lavender oil greece FL/FR linaloe wood oil mexico FL/FR laevo- linalool FL/FR linalool oxide FL/FR melaleuca ericifolia leaf oil FR ortho- methyl acetophenone FL/FR beta-iso methyl ionone FL/FR N- methyl ionone 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 methyl ionyl acetate FL/FR 2- methyl naphthalene FL/FR mimosa concrete france FL/FR mimosa tenuiflora leaf extract FL/FR muguet carbinol FL/FR bitter orangeflower concrete FR orris butenone FR orris pyridine 25% IPM FR orris rhizome absolute (iris germanica) FL/FR orris rhizome absolute (iris pallida) FL/FR orris rhizome absolute replacer FR orris rhizome oil (iris germanica) FL/FR petitgrain cedrat oil FL/FR petitgrain oil terpenes FR phenethyl hexanoate FL/FR phenyl glycol diacetate FR iso propyl phenyl acetate FL/FR rhodinol FL/FR rhodinyl phenyl acetate FL/FR rose concrete (rosa centifolia) FR styralyl formate FL/FR tetrahydroionol FR tobacco flower absolute FR (E)-2,5,9- trimethyl-4,9-decadien-1-al FR vetiver pentanone FR violet methyl carbonate FR fruity acetyl methyl anthranilate FL/FR iso butyl furyl propionate FL/FR cherry oxyacetate FL/FR 1,4- diisopropyl-6,8-dioxabicyclo(3.2.1)octane FR ethyl methyl-para-tolyl glycidate FL/FR linalool oxide acetates FL/FR octyl propionate FL/FR peach pivalate FR tolualdehydes (mixed o,m,p) FL/FR tropical ionone FL/FR green bergoxane FR iso green methanoindene FR 1- heptanol FL/FR (Z)-3- hexen-1-yl (Z)-3-hexenoate FL/FR (Z)-3- hexen-1-yl methyl carbonate FL/FR hexen-1-yl oxypropane nitrile FR (E)-2- hexen-1-yl salicylate FR (Z)- leaf acetal FL/FR melon nonenoate FL/FR methyl heptine carbonate FL/FR para- methyl hydratropaldehyde FL/FR methyl octine carbonate FL/FR (E,Z)-2,6- nonadien-1-ol FL/FR 3,6- nonadien-1-ol FL/FR (E,Z)-2,6- nonadienal FL/FR (E)-2- nonen-1-ol FL/FR 2- nonyn-1-al dimethyl acetal FR octanal dimethyl acetal FL/FR phenoxyethyl isobutyrate FL/FR violet decenol FR violet dienyne FR violet leaf absolute FL/FR violet nitrile FR herbal calendula officinalis flower oil CO2 extract FR freesia heptanol FL/FR immortelle flower oil FL/FR marigold pot flower oil FL/FR mossy moss specialty FR musk amyris specialty FR 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 orris beta- methyl ionone FL/FR powdery para- anisyl acetate FL/FR para- anisyl alcohol FL/FR dimethyl ionone 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 rummy rum extract FL/FR spicy iso eugenol FL/FR white sassafras oil FL/FR spicy carbonate FR terpenic alpha- terpineol FL/FR tobacco methyl benzoxole FL/FR veltonal (Bedoukian) FR tonka mint lactone FL/FR vanilla heliotropyl alcohol FL/FR vanillyl acetate FL/FR vanillylidene acetone FL/FR waxy ethyl myristate FL/FR orris rhizome oil CO2 extract FL/FR woody amber formate FR amyris acetate FR anthocephalus cadamba oil FR bois de rose leaf oil brazil FL/FR iso butyl ionone FR cabreuva wood oil FR cedar cyclododecatriene FR cedryl formate FR chloranthus spicatus absolute FR cyperus root oil (cyperus rotundus) FR 2- decalinyl acetate FR diethyl dimethyl-2-cyclohexenone FR dihydro-beta-ionol FL/FR guaiacwood oil FL/FR herbal norbornane FR homalomena rubescens root oil FR methyl cedryl ketone FL/FR alpha-iso methyl ionol FR 3- methyl pentyl angelate FR iso methyl tetrahydroionyl acetate FR patchouli ethanone FR sandal octanol FR santalyl acetate FL/FR (+)-alpha- santalyl acetate FL/FR timber propanol FR vetiveryl acetate FL/FR violet propanol FR (Z)- woody amylene FR woody epoxide FR zdravetz absolute FR zdravetz oil FL/FR For Flavor No flavor group found for these sec- butyl ethyl ether FL/FR dihydro-beta-ionol FL/FR 2',4'- dimethyl acetophenone FL/FR heliotropyl alcohol FL/FR linaloe wood oil mexico FL/FR (Z)- linalool oxide (furanoid) FL/FR linalool oxide acetates FL/FR marigold pot flower oil 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 (+)-alpha- santalyl acetate FL/FR white sassafras oil FL/FR styralyl formate FL/FR vetiveryl acetate FL/FR zdravetz oil FL/FR iso butyl furyl propionate FL/FR amber amber ambrette seed oil FL/FR musk tetralin FL/FR anisic ortho- anisaldehyde FL/FR ortho- methyl acetophenone FL/FR apple (E,Z)-2,6- nonadien-1-ol FL/FR balsamic ethyl cinnamate FL/FR peru balsam oil FL/FR vanillylidene acetone FL/FR berry dihydro-alpha-ionone FL/FR cherry heliotropin FL/FR citrus bergamot oil bergaptene reduced italy FL/FR freesia heptanol FL/FR laevo- linalool FL/FR myrcenyl acetate FL/FR petitgrain cedrat oil FL/FR alpha- terpineol 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 cucumber 2- ethyl octine carbonate FL estery octyl propionate FL/FR fatty (E,E)-2,4- nonadienal FL floral bois de rose leaf oil brazil FL/FR cocoa pentenal FL/FR geranyl phenyl acetate FL/FR beta- ionol FL/FR pseudo ionone FL alpha- ionone FL/FR beta- irone FL/FR beta- methyl ionone FL/FR 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 mimosa concrete france FL/FR mimosa tenuiflora leaf extract FL/FR muguet carbinol FL/FR orris rhizome oil (iris germanica) FL/FR rhodinol FL/FR tropical ionone FL/FR fruity acetyl methyl anthranilate FL/FR para- anisyl acetate FL/FR para- anisyl alcohol FL/FR boronia absolute FL/FR iso butyl benzoate FL/FR cherry oxyacetate FL/FR dimethyl anthranilate FL/FR ethyl methyl-para-tolyl glycidate FL/FR methyl (E)-2-octenoate FL/FR alpha- methyl ionone FL/FR tolualdehydes (mixed o,m,p) FL/FR green cinnamyl alcohol FL/FR cocoa butenal FL/FR dibutyl sulfide FL/FR (Z)-3- hexen-1-yl (Z)-3-hexenoate FL/FR (Z)-3- hexen-1-yl methyl carbonate FL/FR (Z)- leaf acetal FL/FR linalool oxide FL/FR melon nonenoate FL/FR methyl 2-undecynoate FL methyl heptine carbonate FL/FR para- methyl hydratropaldehyde FL/FR methyl octine carbonate FL/FR 3,6- nonadien-1-ol FL/FR (E,Z)-2,6- nonadienal FL/FR (E)-2- nonen-1-ol FL/FR octanal dimethyl acetal FL/FR phenoxyethyl isobutyrate FL/FR violet leaf absolute FL/FR herbal immortelle flower oil FL/FR lavandula angustifolia flower oil FL/FR lavender oil france FL/FR lavender oil greece FL/FR honey iso propyl phenyl acetate FL/FR meaty ortho- thioguaiacol FL musk ethylene brassylate FL/FR dextro,laevo- muscone FL/FR musty 2,3,5- trimethyl pyrazine FL/FR naphthyl para- methyl anisole FL/FR nutty methyl benzoxole FL/FR oily 2- methyl naphthalene FL/FR tetrahydrofurfuryl propionate FL phenolic guaiacyl phenyl acetate FL/FR powdery ortho- acetanisole FL/FR beta- naphthyl ethyl ether FL/FR powdery ketone FL rummy rum extract FL/FR solvent 1- heptanol FL/FR spicy cassie absolute FL/FR iso eugenol FL/FR sweet cyclohexyl acetic acid FL/FR orris rhizome absolute (iris germanica) FL/FR orris rhizome absolute (iris pallida) FL/FR vanilla omega- pentadecalactone FL/FR vanillyl acetate FL/FR waxy ethyl myristate FL/FR phenethyl hexanoate FL/FR rhodinyl phenyl acetate FL/FR woody delta- damascone FL/FR guaiacwood oil FL/FR alpha- ionol FL/FR (E)-beta- ionone FL/FR beta- ionone FL/FR beta- ionyl acetate FL/FR alpha- irone FL/FR methyl cedryl ketone FL/FR methyl ionyl acetate FL/FR orris rhizome oil CO2 extract FL/FR santalyl acetate FL/FR   Potential Uses: FR chypre FR floral FR moss FR oriental FR vetiver FR violet FR woody   Occurrence (nature, food, other):note   not found in nature   Synonyms: 3- buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, acetate a- ionyl acetate 4-(2,6,6- trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl acetate 3-(2,6,6- trimethyl-2-cyclohexen-1-yl) propen-1-yl acetate 4-(2,6,6- trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol acetate 4-(2,6,6- trimethyl-2-cyclohexenyl)-2-butenyl acetate   Articles:   None found yet. 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Notes: None found