7-allyl benzo[b][1,4]dioxepin-3-one
7-allylbenzo[b][1,4]dioxepin-3-one

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Fragrance Demo Formulas Name: 7-prop-2-enyl-1,5-benzodioxepin-3-one CAS not found NF0131 3D/inchi Nikkaji Web: J2.012.120C XlogP3-AA: 2.60 (est) Molecular Weight: 204.22524000 Formula: C12 H12 O3 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 Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 328.73 °C. @ 760.00 mm Hg (est) Flash Point: 291.00 °F. TCC ( 143.70 °C. ) (est) logP (o/w): 1.756 (est) Soluble in:   water, 66.2 mg/L @ 25 °C (est)   Organoleptic Properties: Odor Type: herbal marine floral ozone watermelon fatty aldehydic Odor Description:at 1.00 % in dipropylene glycol. marine-floral odor with nuances of ozone, watermelons and fatty aldehydes 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 IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice   Recommendation for 7-allyl benzo[b][1,4]dioxepin-3-one flavor usage levels up to:   not for flavor use.   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search Laboratory Chemical Safety Summary :11138191 7-prop-2-enyl-1,5-benzodioxepin-3-one   References:   7-prop-2-enyl-1,5-benzodioxepin-3-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 11138191 Pubchem (sid): 42193023   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 aldehydic citrus carbaldehyde FR iso freshal FR geranyl oxyacetaldehyde FR 3- methyl-4-(3-methly-3-methoxybutyl oxy) butyraldehyde FR 3- methyl-4-octyl oxybutyraldehyde FR octane nitrile FR citrus 4- decenal FL/FR marine decadienal FR octanal glycol acetal FR 10- undecen-1-ol FL/FR fatty (S)-gamma- undecalactone FL/FR green cilantro leaf oil FL/FR heptanal (aldehyde C-7) FL/FR hexanal (aldehyde C-6) FL/FR (E)-2- hexenal FL/FR olive oil absolute FL/FR hay para- methyl phenoxyacetaldehyde FR marine ocean carboxaldehyde FR spicy allspice oleoresin FL/FR cumin seed absolute FL/FR For Flavor No flavor group found for these 4- decenal FL/FR (S)-gamma- undecalactone FL/FR 10- undecen-1-ol FL/FR citrus citrus cilantro leaf oil FL/FR green heptanal (aldehyde C-7) FL/FR hexanal (aldehyde C-6) FL/FR (E)-2- hexenal FL/FR oily olive oil absolute FL/FR spicy allspice oleoresin FL/FR cumin seed absolute FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms: 7- allyl-2H-1,5-benzodioxepin-3(4H)-one 7- allylbenzo[b][1,4]dioxepin-3-one 7- prop-2-enyl-1,5-benzodioxepin-3-one   Articles: US Patents:7,235,519 - 1,2 Substituted 2,3-dihydro-1H-5,9 dioxacyclohepta[F]indden-7-ones and 7-substituted benzo[B][1,4]dioxepin-3-ones

Notes: None found

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