2H-1,5-benzodioxepin-3(4H)-one, 7-(1,1-dimethylethyl)-
7-(1,1-dimethylethyl)-2H-1,5-benzodioxepin-3(4H)-one

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CAS Number: 195251-91-3 3D/inchi FDA UNII: JI094VG3JB Nikkaji Web: J2.480.554I XlogP3-AA: 3.20 (est) Molecular Weight: 220.26812000 Formula: C13 H16 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 Perfumer and Flavorist: 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: 323.27 °C. @ 760.00 mm Hg (est) Flash Point: 285.00 °F. TCC ( 140.40 °C. ) (est) logP (o/w): 2.427 (est) Soluble in:   alcohol   water, 19.77 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: 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 2H-1,5-benzodioxepin-3(4H)-one, 7-(1,1-dimethylethyl)- 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):195251-91-3 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :16723825 National Institute of Allergy and Infectious Diseases:Data WGK Germany:2 7-tert-butyl-1,5-benzodioxepin-3-one Chemidplus:0195251913   References:   7-tert-butyl-1,5-benzodioxepin-3-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 16723825 Pubchem (sid): 135348422   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 None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms: 7-tert- butyl-1,5-benzodioxepin-3-one 7-(1,1- dimethyl ethyl)-2H-1,5-benzodioxepin-3(4H)-one 7-(1,1- dimethylethyl)-2H-1,5-benzodioxepin-3(4H)-one   Articles:   None found yet. Try the PubMed Search.

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