2-hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one
2-cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl-

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Fragrance Demo Formulas Flavor Demo Formulas CAS Number: 109682-87-3 3D/inchi FDA UNII: Search XlogP3-AA: 1.20 (est) Molecular Weight: 140.18204000 Formula: C8 H12 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavor and 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 Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search   Physical Properties: Appearance: white crystals (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 249.61 °C. @ 760.00 mm Hg (est) Vapor Pressure: 0.004000 mmHg @ 25.00 °C. (est) Flash Point: 217.00 °F. TCC ( 102.80 °C. ) (est) logP (o/w): 0.641 (est) Soluble in:   water, 1285 mg/L @ 25 °C (est)   Organoleptic Properties: Odor Type: sweet sweet burnt spicy caramellic maple coffee bready licorice Odor Description:sweet burnt powerful spicy corylone-like caramel maple coffee bread licorice 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: flavor and fragrance agents RIFM Fragrance Material Safety Assessment: Search IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice     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 :528707 National Institute of Allergy and Infectious Diseases:Data 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one   References:   2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 528707 Pubchem (cas): 109682-87-3   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): HMDB39652 FooDB: FDB019281 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor caramellic cyclotene FL/FR 5- methyl furfural FL/FR For Flavor brown 5- methyl furfural FL/FR caramellic cyclotene FL/FR molasses molasses blackstrap FL   Potential Uses: None Found   Occurrence (nature, food, other):note   coffee roasted coffee Search PMC Picture   Synonyms: 2- cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl- 2- hydroxy-3,4,5-trimethylcyclopent-2-en-1-one 3,4,5- trimethyl-2-hydroxycyclopent-2-en-1-one   Articles: US Patents:4,892,966 - Acetoacetic acid ester derivatives for the manufacture of .alpha.-hydroxycarbonyl compounds

Notes: Aroma constit. of roasted Arabica coffee beans as mixed cis- and trans- isomers. Flavouring agent

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