5,8-megastigmadien-4-one
3-(3-butenyl)-2,4,4-trimethyl cyclohex-2-en-1-one

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  67401-27-8 5,8-Megastigmadienone-4

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Name: 3-(but-3-enyl-2,4,4-trimethylcyclohex-2-en-1-one CAS Number: 67401-27-8 3D/inchi ECHA EINECS - REACH Pre-Reg: 266-685-5 FDA UNII: QXV7P275TL Nikkaji Web: J127.463E XlogP3-AA: 3.10 (est) Molecular Weight: 192.30160000 Formula: C13 H20 O NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavoring 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: 267.00 to 269.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.008000 mmHg @ 25.00 °C. (est) Flash Point: 244.00 °F. TCC ( 117.78 °C. ) logP (o/w): 2.789 (est) Soluble in:   alcohol   water, 6.843 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 5,8-Megastigmadienone-4 Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   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: flavoring agents Recommendation for 5,8-megastigmadien-4-one usage levels up to:   not for fragrance use.     Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :105426 National Institute of Allergy and Infectious Diseases:Data 3-(but-3-enyl-2,4,4-trimethylcyclohex-2-en-1-one Chemidplus:0067401278   References:   3-(but-3-enyl-2,4,4-trimethylcyclohex-2-en-1-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 105426 Pubchem (sid): 135062816   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 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   found in nature   Synonyms: 3-( but-3-enyl-2,4,4-trimethylcyclohex-2-en-1-one 3-(3- butenyl)-2,4,4-trimethyl cyclohex-2-en-1-one   megastigma-5,8-dien-4-one   megastigma-5,8-diene-4-one   Articles:   None found yet. Try the PubMed Search.

Notes: None found