5-octen-2-one
oct-5-en-2-one

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CAS Number: 36359-70-3 3D/inchi FDA UNII: Search CoE Number: 11171 XlogP: 2.20 (est) Molecular Weight: 126.19878000 Formula: C8 H14 O NMR Predictor: Predict (works with chrome, Edge or firefox) Also(can) Contains: (E)-5-octen-2-one   (Z)-5-octen-2-one Category:natural substances and extractives   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 PubMed: Search NCBI: Search   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 95.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 0.84200 to 0.84800 @ 25.00 °C. Pounds per Gallon - (est).: 7.006 to 7.056 Refractive Index: 1.43100 to 1.43700 @ 20.00 °C. Boiling Point: 115.00 °C. @ 760.00 mm Hg Vapor Pressure: 1.210000 mmHg @ 25.00 °C. (est) Flash Point: 1250.00 °F. TCC ( 52.10 °C. ) (est) logP (o/w): 2.070 (est) Soluble in:   alcohol   water, 1843 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: natural substances and extractives Recommendation for 5-octen-2-one usage levels up to:   not for fragrance use.   Recommendation for 5-octen-2-one 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):36359-70-3 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry National Institute of Allergy and Infectious Diseases:Data oct-5-en-2-one   References:   oct-5-en-2-one NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 36359-70-3 Pubchem (cas): 36359-70-3   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): HMDB35390 FooDB: FDB014065 Typical G.C. VCF-Online: VCF Volatile Compounds in Food   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   bergamot fruit Search Trop Picture   bergamot oil @ trace% Data GC Search Trop Picture   tea black tea Search Trop Picture   Synonyms:   oct-5-en-2-one   Articles:   None found yet. Try the PubMed Search.

Notes: Isol. from bergamot orange (Citrus bergamia) and black tea

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