methyl beta-ionyl acetate
1-penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate

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Name: [(E,3S)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl] acetate CAS Number: 137085-37-1 3D/inchi FDA UNII: Search XlogP3-AA: 4.10 (est) Molecular Weight: 250.38162000 Formula: C16 H26 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 claer liquid (est) Assay: 90.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 0.92000 to 0.94000 @ 25.00 °C. Pounds per Gallon - (est).: 7.655 to 7.822 Refractive Index: 1.46000 to 1.48000 @ 20.00 °C. Boiling Point: 322.00 to 324.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.000254 mmHg @ 25.00 °C. (est) Flash Point: 230.00 °F. TCC ( 110.00 °C. ) logP (o/w): 5.400 (est) Soluble in:   alcohol   water, 0.1336 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: berry raspberry berry Odor Description:at 100.00 %. raspberry Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers:   None found   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 methyl beta-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):137085-37-1 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :6450542 National Institute of Allergy and Infectious Diseases:Data [(E,3S)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl] acetate Chemidplus:0137085371   References:   [(E,3S)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl] acetate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 6450542 Pubchem (sid): 135235183   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 ChemSpider: View   Potential Blenders and core components note For Odor balsamic pine needle absolute FL/FR berry wild berry fragrance FR berry fragrance FR blackberry infusions FL/FR blackberry specialty FR blueberry fragrance FR blueberry infusions FL/FR blueberry specialty FR boysenberry fragrance FR red currant fragrance FR black currant fragrance FR currant fragrance FR black currant infusions FL/FR gooseberry fragrance FR huckleberry fragrance FR loganberry fragrance FR loganberry specialty FR lycium barbarum fruit absolute FR mulberry fragrance FR raspberry essence FL/FR black raspberry fragrance FR raspberry fragrance FR raspberry infusions FL/FR raspberry ketone FL/FR raspberry specialty FR rubus fruticosus fruit extract FL/FR camphoreous 3- benzylidene-2-butanone FL/FR beta-homo cyclocitral FL/FR ethereal propyl formate FL/FR fermented valeraldehyde FL/FR floral dihydro-alpha-ionone FL/FR beta- ionone FL/FR beta- ionyl acetate FL/FR jasmin oil CO2 extract FL/FR rose carboxylate FR fruity artemisia pallens herb oil FL/FR 3- benzyl-4-heptanone FL/FR berry pentadienoate FL/FR blackberry fragrance FR blackberry vanilla fragrance FR blueberry essence FL/FR boysenberry essence FL/FR butyl hexanoate FL/FR cherry berry fragrance FR black cherry fragrance FR cherry fragrance FR black currant essence FL/FR red currant essence FL/FR cyclohexyl isovalerate FL/FR davana oil replacer FR dihydroactinidolide FL/FR etaspirene FR ethyl (R)-2-hydroxy-4-methyl pentanoate FR ethyl (S)-2-hydroxy-4-methyl pentanoate FR ethyl alpha-ethyl-beta-methyl-beta-phenyl glycidate FL/FR ethyl methyl-para-tolyl glycidate FL/FR ethyl para-methyl-beta-phenyl glycidate FR filbert hexenone FL/FR fruit specialty FR heliotropyl isobutyrate FL/FR beta- ionone epoxide FL/FR maltyl butyrate FL/FR methyl 2-methyl valerate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR 3- nonen-2-one FL/FR perillyl acetate FL/FR red raspberry essence FL/FR black raspberry essence FL/FR raspberry fruit oil FR ribes nigrum fruit extract FL/FR ribes rubrum fruit extract FL/FR iso spirene FR strawberry glycidate 2 FL/FR strawberry infusion FL/FR styralyl butyrate FL/FR green thiogeraniol FL/FR herbal barosma betulina leaf oil FL/FR mentholic menthyl acetate racemic FL/FR soapy ambrettolide FL/FR spicy black currant bud absolute FL/FR sulfurous blackberry thiophenone FL/FR waxy (E)-2- octen-1-yl butyrate FL/FR For Flavor No flavor group found for these 3- benzylidene-2-butanone FL/FR blackberry thiophenone FL/FR beta- ionone epoxide FL/FR menthyl acetate racemic FL/FR (E)-2- octen-1-yl butyrate FL/FR pine needle absolute FL/FR berry berry blackberry infusions FL/FR blueberry essence FL/FR blueberry infusions FL/FR black currant infusions FL/FR dihydro-alpha-ionone FL/FR maltyl butyrate FL/FR raspberry essence FL/FR raspberry infusions FL/FR raspberry ketone FL/FR rubus fruticosus fruit extract FL/FR cooling beta-homo cyclocitral FL/FR floral jasmin oil CO2 extract FL/FR fruity artemisia pallens herb oil FL/FR 3- benzyl-4-heptanone FL/FR berry pentadienoate FL/FR boysenberry essence FL/FR butyl hexanoate FL/FR black currant essence FL/FR red currant essence FL/FR cyclohexyl isovalerate FL/FR dihydroactinidolide FL/FR ethyl alpha-ethyl-beta-methyl-beta-phenyl glycidate FL/FR ethyl methyl-para-tolyl glycidate FL/FR filbert hexenone FL/FR heliotropyl isobutyrate FL/FR methyl 2-methyl valerate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR propyl formate FL/FR red raspberry essence FL/FR black raspberry essence FL/FR ribes nigrum fruit extract FL/FR ribes rubrum fruit extract FL/FR strawberry glycidate 2 FL/FR strawberry infusion FL/FR styralyl butyrate FL/FR green perillyl acetate FL/FR thiogeraniol FL/FR herbal barosma betulina leaf oil FL/FR oily 3- nonen-2-one FL/FR soapy ambrettolide FL/FR spicy black currant bud absolute FL/FR winey valeraldehyde FL/FR woody beta- ionone FL/FR beta- ionyl acetate FL/FR   Potential Uses: FR raspberry   Occurrence (nature, food, other):note   not found in nature   Synonyms:   methyl b-ionyl acetate 1- penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate 1-(2,6,6- trimethyl-1-cyclohexen-1-yl)-1-penten-3-ol acetate [(E,3S)-1-(2,6,6- trimethylcyclohexen-1-yl)pent-1-en-3-yl] acetate   Articles:   None found yet. Try the PubMed Search.

Notes: None found

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