isobutyl ionone
1-hexen-3-one, 5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

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  CODE101354 CODE101354
  Product(s):
  70092-23-8 5-Methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-hexen-3-one
  99948-88-6 (E)-5-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one

Name: (E)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one CAS Number: 70092-23-8 3D/inchi ECHA EINECS - REACH Pre-Reg: 274-309-6 FDA UNII: Search Nikkaji Web: J318.118I XlogP3-AA: 4.20 (est) Molecular Weight: 234.38242000 Formula: C16 H26 O NMR Predictor: Predict (works with chrome, Edge or firefox) Name: (Z)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one CAS Number: 99948-88-6 3D/inchi ECHA EINECS - REACH Pre-Reg: 309-097-7 FDA UNII: Search XlogP3-AA: 4.20 (est) Molecular Weight: 234.38242000 Formula: C16 H26 O 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: 95.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 0.89500 to 0.91500 @ 25.00 °C. Pounds per Gallon - (est).: 7.447 to 7.614 Refractive Index: 1.48500 to 1.50000 @ 20.00 °C. Boiling Point: 255.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.000460 mmHg @ 25.00 °C. (est) Flash Point: 220.00 °F. TCC ( 104.44 °C. ) logP (o/w): 5.033 (est) Soluble in:   alcohol   water, 0.3956 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: woody woody vetiver earthy rooty Odor Description:at 100.00 %. woody vetiver earthy rooty Odor and/or flavor descriptions from others (if found). Bedoukian Research ISOBUTYL IONONE Odor Description:woody vetiver   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. (E)-5-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one BOC Sciences For experimental / research use only. 5-Methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-hexen-3-one   Safety Information:   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: 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 isobutyl ionone usage levels up to:   5.0000 % in the fragrance concentrate.   Recommendation for isobutyl ionone 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):70092-23-8 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :6437739 National Institute of Allergy and Infectious Diseases:Data (E)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one Chemidplus:0070092238 (Z)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one Chemidplus:099948886   References:   (E)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 6437739 Pubchem (sid): 135069426   (Z)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 6437785 Pubchem (sid): 135069490   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: 2914.23.0000 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these (E)-beta- methyl ionone FL/FR (E)- sabinene hydrate FL/FR amber amber acetoxymethyl isolongifolene FR amber spirolene FR formoxymethyl isolongifolene FR animal iso butyl quinoline FR anisic para- anisyl phenyl acetate FL/FR balsamic siam benzoin absolute FL/FR siam benzoin resinoid FL/FR 1- benzoyl acetone FL/FR laevo- bornyl acetate FL/FR brachyleana hutchinsii wood oil FR conifer acetate FR fir needle oil canada FL/FR fir needle oil terpeneless canada FL/FR guaiyl butyrate FR hemlock western oil (tsuga heterophylla) canada FR juniper berry absolute FL/FR myrrh absolute FL/FR myrrh resinoid FR tolu balsam absolute FL/FR tolu balsam resinoid FL/FR citrus bergamot oil bergaptene reduced italy FL/FR grapefruit indene FR grapefruit nitrile FR grapefruit pentanol FR myrcenyl acetate FL/FR earthy 6(or 8)-iso butyl quinoline FR gentian concrete FR (Z)- linalool oxide (furanoid) FL/FR patchouli cyclohexanol FR floral 4-tert- butyl cyclohexane carboxaldehyde FR cananga oil FL/FR cananga oil china FL/FR 2',4'- dimethyl acetophenone FL/FR 2,4- dimethyl cyclohexyl methyl acetate FR gardenia decalone FR ho wood oil FR alpha- ionol FL/FR beta- ionone FL/FR alpha- ionone FL/FR (E)-beta- ionone FL/FR alpha- ionyl acetate FR alpha- irone FL/FR linaloe wood oil mexico FL/FR laevo- linalool FL/FR linalool oxide FL/FR beta-iso methyl ionone FL/FR alpha-iso methyl ionone (50% min.) FL/FR methyl ionyl acetate FL/FR orris rhizome absolute (iris pallida) FL/FR petitgrain cedrat oil FL/FR phenyl glycol diacetate FR rose absolute (rosa centifolia) morocco FL/FR styralyl formate FL/FR vetiver pentanone FR fruity iso butyl furyl propionate FL/FR tropical ionone FL/FR green bergoxane FR galbanum absolute FL/FR galbanum oil FL/FR galbanum oil replacer FR galbanum oleoresin FL/FR galbanum resinoid FL/FR iso green methanoindene FR (E)-2- hexen-1-yl salicylate FR valerian rhizome oil CO2 extract china FL/FR herbal 1- allyl-2,2,7,7-tetramethyl cycloheptanol FR bornane-3,1-cyclopenta-2-one FR canarium luzonicum gum FL/FR freesia heptanol FL/FR immortelle flower oil FL/FR rosemary absolute FL/FR rosemary oil morocco FL/FR rosemary oil spain FL/FR valerian rhizome oil FL/FR valerian rhizome oil china FL/FR orris beta- methyl ionone FL/FR powdery (E)-alpha- methyl ionone (50-60%) FL/FR spicy elettaria cardamomum seed oil FL/FR nutmeg absolute FL/FR spicy carbonate FR terpenic elemi resinoid FL/FR pine needle oil dwarf FL/FR woody agarwood oil FR agarwood oil replacer FR agarwood specialty FR amyris acetate FR bruyere root oil FR cedar cyclododecatriene FR cedryl formate FR copaiba balsam FL/FR dihydro-beta-ionol FL/FR guaiacwood extract acetate FR guaiacwood oil 20% in gurjun balsam oil FR alpha- guaiene FL/FR gurjun balsam oil FR alpha- gurjunene FR herbal norbornane FR 4- hydroxybenzaldehyde FL/FR methyl cedryl ketone FL/FR alpha-iso methyl ionol FR iso methyl tetrahydroionyl acetate FR patchouli ethanone FR patchouli oil FL/FR sandal octanol FR sandalwood oil FL/FR sandalwood oil west australia (santalum spicatum) FR santalyl butyrate FL/FR symroxane (Symrise) FR vetiver oil acetylated FR vetiver oil CO2 extract FL/FR vetiver oil fractions FR vetiver oil haiti MD FL/FR vetiverol FL/FR vetiveryl acetate FL/FR vetylbois FR (Z)- woody amylene FR For Flavor No flavor group found for these 1- benzoyl acetone FL/FR dihydro-beta-ionol FL/FR 2',4'- dimethyl acetophenone FL/FR fir needle oil canada FL/FR alpha- guaiene FL/FR linaloe wood oil mexico FL/FR (Z)- linalool oxide (furanoid) FL/FR (E)-beta- methyl ionone FL/FR beta-iso methyl ionone FL/FR (E)-alpha- methyl ionone (50-60%) FL/FR (E)- sabinene hydrate FL/FR santalyl butyrate FL/FR styralyl formate FL/FR vetiveryl acetate FL/FR iso butyl furyl propionate FL/FR anisic anisic para- anisyl phenyl acetate FL/FR balsamic siam benzoin resinoid FL/FR laevo- bornyl acetate FL/FR fir needle oil terpeneless canada FL/FR juniper berry absolute FL/FR myrrh absolute FL/FR tolu balsam absolute FL/FR tolu balsam resinoid 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 creamy 4- hydroxybenzaldehyde FL/FR floral cananga oil FL/FR cananga oil china FL/FR alpha- ionone FL/FR beta- methyl ionone FL/FR alpha-iso methyl ionone (50% min.) FL/FR rose absolute (rosa centifolia) morocco FL/FR tropical ionone FL/FR fruity valerian rhizome oil FL/FR valerian rhizome oil china FL/FR valerian rhizome oil CO2 extract china FL/FR green canarium luzonicum gum FL/FR elemi resinoid FL/FR galbanum absolute FL/FR galbanum oil FL/FR galbanum oleoresin FL/FR galbanum resinoid FL/FR linalool oxide FL/FR herbal immortelle flower oil FL/FR rosemary absolute FL/FR rosemary oil morocco FL/FR rosemary oil spain FL/FR pine pine needle oil dwarf FL/FR spicy siam benzoin absolute FL/FR elettaria cardamomum seed oil FL/FR galangal root oleoresin FL nutmeg absolute FL/FR sweet orris rhizome absolute (iris pallida) FL/FR woody copaiba balsam FL/FR alpha- ionol FL/FR beta- ionone FL/FR (E)-beta- ionone FL/FR alpha- irone FL/FR methyl cedryl ketone FL/FR methyl ionyl acetate FL/FR patchouli oil FL/FR sandalwood oil FL/FR vetiver oil CO2 extract FL/FR vetiver oil haiti MD FL/FR vetiverol FL/FR   Potential Uses: FR balsam FR herbal FR leather FR oriental FR vetiver FR woody   Occurrence (nature, food, other):note   chrysanthemum morifolium Search Trop Picture   Synonyms: 1- hexen-3-one, 5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- alpha- methyl ethyl ionone 5- methyl-1-(2,6,6-trimethyl cyclohex-2-en-1-yl) hex-1-en-3-one (E)-5- methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one 5- methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one alpha- methylethyl ionone 6-(2,6,6- trimethyl-2-cyclohexen-1-yl)-2-methyl-5-hexen-4-one   Articles:   None found yet. Try the PubMed Search.

Notes: None found