2,5-dimethyl-3-acetyl-pyrrole
ketone, 2,5-dimethylpyrrol-3-yl methyl

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CAS Number: 1500-94-3 3D/inchi FDA UNII: Search Nikkaji Web: J41.553G Beilstein Number: 0112096 XlogP3-AA: 1.20 (est) Molecular Weight: 137.18187000 Formula: C8 H11 N O BioActivity Summary: listing 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, 3327 mg/L @ 25 °C (est)   Organoleptic Properties: Flavor Type: sweet sweet Taste Description: weak, sweet 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: intraperitoneal-mouse LD50 553 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Journal of Medicinal Chemistry. Vol. 11, Pg. 1251, 1968. intraperitoneal-rat LD50 225 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ANTICONVULSANT BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Journal of Medicinal Chemistry. Vol. 11, Pg. 1251, 1968. Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: information only not used for fragrances or flavors Recommendation for 2,5-dimethyl-3-acetyl-pyrrole usage levels up to:   not for fragrance use.   Recommendation for 2,5-dimethyl-3-acetyl-pyrrole flavor usage levels up to:   not for flavor 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 :15163 National Institute of Allergy and Infectious Diseases:Data 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone Chemidplus:0001500943   References:   1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone NIST Chemistry WebBook: Search Inchi Pubchem (cid): 15163 Pubchem (sid): 134978887   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 CHEMBL: View 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: 3- acetyl-2,5-dimethyl pyrrole 3- acetyl-2,5-dimethyl-pyrrole 3- acetyl-2,5-dimethylpyrrole 2,5- dimethyl pyrrol-3-yl methyl ketone 1-(2,4- dimethyl-1H-pyrrol-3-yl)ethanone 2,5- dimethyl-3-acetyl pyrrole 2,5- dimethyl-3-acetylpyrrole 2,5- dimethylpyrrol-3-yl methyl ketone   ketone, 2,5-dimethyl-3-pyrrolyl methyl   ketone, 2,5-dimethylpyrrol-3-yl methyl   Articles: US Patents:3,952,024 - Furfurylthioacetone US Patents:Certain 2,5-dimethyl-3-thiopyrazines

Notes: None found

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