cascarilladiene
1-isopropyl-3,3a,6-trimethyl-2,3,3a,4-tetrahydro-1H-indene

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Name: 3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene CAS Number: 59742-39-1 3D/inchi FDA UNII: Search Nikkaji Web: J39.954J XlogP3-AA: 4.50 (est) Molecular Weight: 204.35628000 Formula: C15 H24 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: 90.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 266.00 to 267.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.014000 mmHg @ 25.00 °C. (est) Flash Point: 219.00 °F. TCC ( 103.89 °C. ) logP (o/w): 6.227 (est) Soluble in:   alcohol   water, 0.06758 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: 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: natural substances and extractives Recommendation for cascarilladiene usage levels up to:   not for fragrance use.   Recommendation for cascarilladiene 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 :570507 National Institute of Allergy and Infectious Diseases:Data 3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene   References:   3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene NIST Chemistry WebBook: Search Inchi Pubchem (cid): 570507 Pubchem (sid): 10384280 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 HMDB (The Human Metabolome Database): HMDB36682 FooDB: FDB015612 Typical G.C. 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   calamus root oil @ 1.43% Data GC Search Trop Picture   cascarilla bark oil @ 4.62% Data GC Search Trop Picture   plagiochila asplenioides Search Trop Picture   seseli campestre Search Trop Picture   snake root root Search Trop Picture   Synonyms: 1-iso propyl-3,3a,6-trimethyl-2,3,3a,4-tetrahydro-1H-indene 3,3a,6- trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene   Articles: PubMed:Cytochrome P450s from Cynara cardunculus L. CYP71AV9 and CYP71BL5, catalyze distinct hydroxylations in the sesquiterpene lactone biosynthetic pathway.

Notes: Constit. of oil of Croton eleuteria (cascarilla)

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