3-methyl-3-buten-2-one
3-butene-2-one, 3-methyl

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  Penta International Corporation

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  CODE104660 CODE104660
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  13-30900 3-METHYL-3-BUTEN-2-ONE

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  CODE104660 CODE104660
  Product(s):
  M0378 3-Methyl-3-buten-2-one >95.0%(GC) (stabilized with HQ)
  SDS

Name: 3-methylbut-3-en-2-one CAS Number: 814-78-8 3D/inchi ECHA EINECS - REACH Pre-Reg: 212-405-1 FDA UNII: F64867GQVB Nikkaji Web: J35.118K Beilstein Number: 1071241 MDL: MFCD00059207 XlogP3-AA: 0.90 (est) Molecular Weight: 84.11796000 Formula: C5 H8 O NMR Predictor: Predict (works with chrome, Edge or firefox) Category:natural substances and extractives   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 FDA Mainterm (SATF): 814-78-8 ; 3-METHYL-3-BUTEN-2-ONE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Melting Point: -54.00 °C. @ 760.00 mm Hg Boiling Point: 97.00 to 99.00 °C. @ 760.00 mm Hg Vapor Pressure: 40.722000 mmHg @ 25.00 °C. (est) Flash Point: 51.00 °F. TCC ( 10.56 °C. ) logP (o/w): 0.561 (est) Shelf Life: 6.00 month(s) or longer if stored properly. Storage: refrigerate in tightly sealed containers. Soluble in:   alcohol   water, 1.961e+004 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Penta International 3-METHYL-3-BUTEN-2-ONE Santa Cruz Biotechnology For experimental / research use only. 3-Methyl-3-buten-2-one ≥95% Sigma-Aldrich: Aldrich For experimental / research use only. 3-Methyl-3-buten-2-one sds TCI AMERICA For experimental / research use only. 3-Methyl-3-buten-2-one >95.0%(GC) (stabilized with HQ) sds   Safety Information: Preferred SDS: View   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: oral-rat LD50 180 mg/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. intraperitoneal-mouse LD50 490 mg/kg Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, Oct. 23, 1975Vol. 23OCT1975 Dermal Toxicity: skin-rabbit LD50 230 ul/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. Inhalation Toxicity: inhalation-guinea pig LCLo 250 ppm/4H National Technical Information Service. Vol. OTS0556100 inhalation-rat LCLo 125 ppm/4H AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.   Safety in Use Information: Category: natural substances and extractives Recommendation for 3-methyl-3-buten-2-one usage levels up to:   not for fragrance use.   Recommendation for 3-methyl-3-buten-2-one flavor usage levels up to:   not for flavor use.   Safety References: EPI System: View Chemical Carcinogenesis Research Information System:Search AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):814-78-8 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :13143 National Institute of Allergy and Infectious Diseases:Data WISER:UN 1246 WGK Germany:3 3-methylbut-3-en-2-one Chemidplus:0000814788 EPA/NOAA CAMEO:hazardous materials   References:   3-methylbut-3-en-2-one NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 814-78-8 Pubchem (cid): 13143 Pubchem (sid): 134977176 Pherobase: View   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 FDA Substances Added to Food (formerly EAFUS): View HMDB (The Human Metabolome Database): HMDB31530 FooDB: FDB008137 Export Tariff Code: 2914.19.0000 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   ginger lily white ginger lily Search Trop Picture   hedychium gardnerianum Search Trop Picture   Synonyms: 3- buten-2-one, 3-methyl- 3- butene-2-one, 3-methyl   ketone, methyl isopropenyl 3- methyl but-3-en-2-one   methyl isopropenyl ketone 2- methyl-1-buten-3-one 2- methyl-1-butene-3-one 3- methyl-3-butene-2-one 3- methylbut-3-en-2-one 3- methylene-2-butanone   propen-2-yl methyl ketone iso propenyl methyl ketone   Articles:   None found yet. Try the PubMed Search.

Notes: Listed in the EAFUS Food Additive Database (Jan. 2001) but with no current reported use