3,4-heptane dione
3,4-heptanedione

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Name: heptane-3,4-dione CAS Number: 13706-89-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 237-242-3 FDA UNII: 4K84DB0XPA Nikkaji Web: J278.004F XlogP3-AA: 0.90 (est) Molecular Weight: 128.17104000 Formula: C7 H12 O2 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 PubMed: Search NCBI: Search   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Soluble in:   water, 7.141e+004 mg/L @ 25 °C (est)   Organoleptic Properties: Taste Description: fruity 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 3,4-heptane dione usage levels up to:   not for fragrance use.   Recommendation for 3,4-heptane dione 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):13706-89-3 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :83671 National Institute of Allergy and Infectious Diseases:Data heptane-3,4-dione Chemidplus:0013706893   References:   heptane-3,4-dione NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 13706-89-3 Pubchem (cid): 83671 Pubchem (sid): 135041389   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): HMDB31477 FooDB: FDB008050 ChemSpider: View   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms:   heptane-3,4-dione 3,4- heptanedione   Articles: US Patents:3,952,024 - Furfurylthioacetone US Patents:Certain 2,5-dimethyl-3-thiopyrazines

Notes: Constit. of coffee

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