trimethyl-3-cyclohexenyl-3-buten-2-one
3-buten-2-one, 4-(3,5,6-trimethyl-3-cyclohexen-1-yl)-

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Name: (E)-4-(3,5,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one CAS Number: 67801-39-2 3D/inchi ECHA EINECS - REACH Pre-Reg: 267-159-8 FDA UNII: Search Nikkaji Web: J317.161B XlogP3-AA: 2.70 (est) Molecular Weight: 192.30160000 Formula: C13 H20 O 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: 275.00 to 277.00 °C. @ 760.00 mm Hg (est) Vapor Pressure: 0.005000 mmHg @ 25.00 °C. (est) Flash Point: 242.00 °F. TCC ( 116.90 °C. ) (est) logP (o/w): 4.024 (est) Soluble in:   alcohol   water, 11.06 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   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 maximum skin levels for fine fragrances:   0.0200 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). Recommendation for trimethyl-3-cyclohexenyl-3-buten-2-one usage levels up to:   0.2000 % in the fragrance concentrate. use level in formulae for use in cosmetics:   0.0200 % Dermal Systemic Exposure in Cosmetic Products:   0.0005 mg/kg/day   Recommendation for trimethyl-3-cyclohexenyl-3-buten-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):67801-39-2 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :5355456 National Institute of Allergy and Infectious Diseases:Data (E)-4-(3,5,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one Chemidplus:0067801392   References:   (E)-4-(3,5,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 67801-39-2 Pubchem (cid): 5355456 Pubchem (sid): 135053400   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): HMDB61873 ChemSpider: View   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms: 3- buten-2-one, 4-(3,5,6-trimethyl-3-cyclohexen-1-yl)- 4-(3,5,6- trimethyl-3-cyclohexen-1-yl)-3-buten-2-one (E)-4-(3,5,6- trimethylcyclohex-3-en-1-yl)but-3-en-2-one 4-(3,5,6- trimethylcyclohex-3-en-1-yl)but-3-en-2-one   Articles:   None found yet. Try the PubMed Search.

Notes: None found

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