preisocalamendiol
5-cyclodecen-1-one, 5-methyl-9-methylene-2-(1-methylethyl)-, (2S,5Z)-

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  CODE161960 CODE161960
  Product(s):
  25645-19-6 preisoCalamendiol

Name: (2S,5Z)-2-isopropyl-5-methyl-9-methylene-5-cyclodecen-1-one CAS Number: 25645-19-6 3D/inchi FDA UNII: Search Nikkaji Web: J17.297I XlogP3-AA: 3.40 (est) Molecular Weight: 220.35548000 Formula: C15 H24 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   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 315.00 °C. @ 760.00 mm Hg (est) Flash Point: 266.00 °F. TCC ( 129.90 °C. ) (est) logP (o/w): 4.940 (est) Soluble in:   water, 1.344 mg/L @ 25 °C (est)   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. preisoCalamendiol Coompo For experimental / research use only. preisoCalamendiol from Plants ≥96%   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: natural substances and extractives Recommendation for preisocalamendiol usage levels up to:   not for fragrance use.   Recommendation for preisocalamendiol 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 :12305705 National Institute of Allergy and Infectious Diseases:Data (2S,5Z)-2-isopropyl-5-methyl-9-methylene-5-cyclodecen-1-one Chemidplus:0025645196   References:   (2S,5Z)-2-isopropyl-5-methyl-9-methylene-5-cyclodecen-1-one NIST Chemistry WebBook: Search Inchi Pubchem (cid): 12305705 Pubchem (sid): 135293337   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 CHEBI: View CHEMBL: View HMDB (The Human Metabolome Database): HMDB35391 FooDB: FDB014066 Typical G.C. VCF-Online: VCF Volatile Compounds in Food ChemSpider: View Wikipedia: View   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   acorus calamus root oil @ 0.91% Data GC Search Trop Picture   acorus calamus root oil mongolia @ 12.10% Data GC Search Trop Picture   calamus Search Trop Picture   daucus carota ssp. maximus (desf.) ball seed oil @ 0.39% Data GC Search Trop Picture   daucus carota ssp. maximus leaf oil @ 17.95% Data GC Search Trop Picture   Synonyms: 5- cyclodecen-1-one, 5-methyl-9-methylene-2-(1-methylethyl)-, (2S,5Z)- (2S,5Z)-2-iso propyl-5-methyl-9-methylene-5-cyclodecen-1-one   Articles: PubMed:An expeditious route to the germacranes. Total synthesis of (+/-)-acoragermacrone and (+/-)-preisocalamendiol.

Notes: Constit. of Acorus calamus (sweet flag)