acetyl isocupressic acid
methyl (1S,4aR,5S,8aR)-5-[(E)-5-acetyloxy-3-methylpent-3-enyl]-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate

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  CODE153126 CODE153126
  Product(s):
  52992-82-2 Acetylisocupressic acid > 95%
  Acetylisocupressic acid isolated from the barks of Araucaria cunninghami.

Name: methyl (1S,4aR,5S,8aR)-5-[(E)-5-acetyloxy-3-methylpent-3-enyl]-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate CAS Number: 52992-82-2 3D/inchi FDA UNII: Search XlogP3-AA: 5.10 (est) Molecular Weight: 362.50978000 Formula: C22 H34 O4 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: 435.79 °C. @ 760.00 mm Hg (est) Flash Point: 403.00 °F. TCC ( 206.40 °C. ) (est) logP (o/w): 6.159 (est) Soluble in:   water, 0.008389 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. Acetylisocupressic acid > 95% Odor: characteristic Use: Acetylisocupressic acid isolated from the barks of Araucaria cunninghami. Coompo For experimental / research use only. Acetylisocupressic acid 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 acetyl isocupressic acid usage levels up to:   not for fragrance use.   Recommendation for acetyl isocupressic acid 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 :6440360 National Institute of Allergy and Infectious Diseases:Data methyl (1S,4aR,5S,8aR)-5-[(E)-5-acetyloxy-3-methylpent-3-enyl]-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate Chemidplus:0052992822   References:   methyl (1S,4aR,5S,8aR)-5-[(E)-5-acetyloxy-3-methylpent-3-enyl]-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 6440360 Pubchem (sid): 135109010   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): Search 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   cupressus gigantea leaf Search Trop Picture   Synonyms: (1S,4aR,5S,8aR)-5-((3E)-5-( acetyl oxy)-3-methyl-3-pentenyl)-decahydro-1,4a-dimethyl-6-methylene-1-naphthalene carboxylic acid   acetylisocupressic acid   methyl (1S,4aR,5S,8aR)-5-[(E)-5-acetyloxy-3-methylpent-3-enyl]-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate 1- naphthalenecarboxylic acid, 5-((3E)-5-(acetyloxy)-3-methyl-3-pentenyl)decahydro-1,4a-dimethyl-6-methylene-, (1S,4aR,5S,8aR)-   Articles: PubMed:[Study on chemical constituents from petroleum ether-soluble parts of cones of Platycladus orientalis].

Notes: None found