4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butynyl)-2-cyclohexen-1-one
2-cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butyn-1-yl)-

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Name: 4-hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-ynyl)cyclohex-2-en-1-one CAS Number: 120853-12-5 3D/inchi FDA UNII: Search XlogP3-AA: 0.70 (est) Molecular Weight: 220.26812000 Formula: C13 H16 O3 NMR Predictor: Predict (works with chrome, Edge or firefox) Category:information only not used for fragrances or flavors   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   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 367.62 °C. @ 760.00 mm Hg (est) Flash Point: 375.00 °F. TCC ( 190.30 °C. ) (est) logP (o/w): 1.891 (est) Soluble in:   water, 6.907e+004 mg/L @ 25 °C (est)   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: information only not used for fragrances or flavors Recommendation for 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butynyl)-2-cyclohexen-1-one usage levels up to:   not for fragrance use.   Recommendation for 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butynyl)-2-cyclohexen-1-one flavor usage levels up to:   not for flavor use.   Safety References: EPI System: View EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :6428787 National Institute of Allergy and Infectious Diseases:Data 4-hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-ynyl)cyclohex-2-en-1-one   References:   4-hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-ynyl)cyclohex-2-en-1-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 6428787 Pubchem (sid): 43022772   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: 2- cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butyn-1-yl)- 4- hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-ynyl)cyclohex-2-en-1-one   Articles:   None found yet.

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