(S)-(+)-alpha-phellandrene
1,3-cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5S)-

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Name: (5S)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene CAS Number: 2243-33-6 3D/inchi FDA UNII: E45FS72C5K Nikkaji Web: J85.996F Beilstein Number: 3194394 XlogP3-AA: 3.20 (est) Molecular Weight: 136.23752000 Formula: C10 H16 NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavor and fragrance agents   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 Perfumer and Flavorist: Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 171.00 to 172.00 °C. @ 760.00 mm Hg (est) Vapor Pressure: 1.856000 mmHg @ 25.00 °C. (est) Flash Point: 111.00 °F. TCC ( 43.70 °C. ) (est) logP (o/w): 4.432 (est) Soluble in:   alcohol   water, 2.862 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Description:dill 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: flavor and fragrance agents RIFM Fragrance Material Safety Assessment: Search IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice     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 :443160 National Institute of Allergy and Infectious Diseases:Data (5S)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene Chemidplus:0002243336   References: Leffingwell: Chirality or Article   (5S)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene NIST Chemistry WebBook: Search Inchi Pubchem (cid): 443160 Pubchem (sid): 135267263 Flavornet: 2243-33-6   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 KEGG (GenomeNet): C11391 HMDB (The Human Metabolome Database): HMDB34970 FooDB: FDB013568 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   cinnamon ceylon cinnamon leaf oil Search Trop Picture   dill seed Search Trop Picture   dill shoot Search Trop Picture   elemi Search Trop Picture   fennel bitter fennel Search Trop Picture   fennel oil Search Trop Picture   gingergrass oil Search Trop Picture   tea tree oil @ trace% Data GC Search Trop Picture   turmeric rhizome Search Trop Picture   turmeric rhizome oil Search Trop Picture   turmeric root Search Trop Picture   turmeric root oil Search Trop Picture   Synonyms: 1,3- cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5S)- (4S)-p- mentha-1,5-diene (4S)-p- mentha-1(6),2-diene (5S)-2- methyl-5-(1-methylethyl)cyclohexadiene (5S)-2- methyl-5-(propan-2-yl)cyclohexa-1,3-diene (5S)-2- methyl-5-propan-2-ylcyclohexa-1,3-diene (+)-(4S)-alpha- phellandrene (+)-a- phellandrene (+)-alpha- phellandrene (4S)-(+)-alpha- phellandrene (S)-(+)- phellandrene (S)-(+)-a- phellandrene (5S)-5-iso propyl-2-methylcyclohexa-1,3-diene (S)-5-iso propyl-2-methylcyclohexa-1,3-diene   Articles:   None found yet. Try the PubMed Search.

Notes: Flavouring agent. Constit. of many essential oils including bitter fennel, elemi and ginger-grass oils. Oil of Ridolfia segetum is a major source (85%) Phellandrene is the name for a pair of organic compounds that have a similar molecular structure and similar chemical properties. alpha-Phellandrene and beta-phellandrene are cyclic monoterpenes and are double-bond isomers. The phellandrenes are used in fragrances because of their pleasing aromas. (Wikipedia)

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