(-)-alpha-bisabolol
(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol

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  508306 BISABOLOL ALPHA NATURAL

Name: (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol CAS Number: 23089-26-1 3D/inchi Other(deleted CASRN): 101467-45-2 ECHA EINECS - REACH Pre-Reg: 245-423-3 FDA UNII: 24WE03BX2T Nikkaji Web: J38.588C MDL: MFCD03412455 XlogP3-AA: 3.80 (est) Molecular Weight: 222.37142000 Formula: C15 H26 O BioActivity Summary: listing 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 JECFA Food Flavoring: 2031 alpha-bisabolol FEMA Number: 4666 alpha-bisabolol FDA: No longer provide for the use of these seven synthetic flavoring substances   Physical Properties: Appearance: pale yellow clear oily liquid (est) Assay: 93.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.92700 to 0.93500 @ 25.00 °C. Pounds per Gallon - (est).: 7.714 to 7.780 Refractive Index: 1.49300 to 1.49900 @ 20.00 °C. Boiling Point: 314.00 °C. @ 760.00 mm Hg Boiling Point: 151.00 to 152.00 °C. @ 12.00 mm Hg Vapor Pressure: 0.000040 mmHg @ 25.00 °C. (est) Flash Point: 235.00 °F. TCC ( 112.78 °C. ) logP (o/w): 4.592 (est) Soluble in:   alcohol   water, 1.688 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: floral fruity nutty coconut Odor Description:at 100.00 %. fruity nutty coconut Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: fragrance skin conditioning soothing agents   Suppliers: BOC Sciences For experimental / research use only. Levomenol Ernesto Ventós BISABOLOL ALPHA NATURAL ExtraSynthese For experimental / research use only. alpha-(-)-Bisabolol (GC) ≥95% Givaudan BisaboLife™ Odor: characteristic Use: BisaboLife™ contains (-)-a-bisabolol, one of the main compound of Matricaria recutita, known as Chamomile, an age-old medicinal herb used in ancient Egypt, Greece and Rome. It is well-know for its multiple biological benefits and its highly biodegradability. Lluch Essence ALPHA-BISABOLOL NATURAL M&U International NAT. BISABOLOL ALPHA Penta International ALPHA-BISABOLOL NATURAL Penta International ALPHA-BISABOLOL Santa Cruz Biotechnology For experimental / research use only. (-)-a-Bisabolol Sigma-Aldrich: Aldrich For experimental / research use only. (-)-a-Bisabolol ≥95% (GC) sds Vigon International BISABOLOL ALPHA NATURAL   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: 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 IFRA Critical Effect: Dermal sensitization and systemic toxicity   View the IFRA Standard View IFRA Standards Library for complete information. Please review Amendment 49 IFRA documentation for complete information. IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): Category 1: Products applied to the lips 0.42 % Category 2: Products applied to the axillae 0.13 % Category 3: Products applied to the face/body using fingertips 2.50 % Category 4: Products related to fine fragrance 2.40 %   Category 5: Products applied to the face and body using the hands (palms), primarily leave-on Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on 0.60 % Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on 0.60 % Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on 0.60 % Category 5D: Baby Creams, baby Oils and baby talc 0.20 % Category 6: Products with oral and lip exposure 1.40 %   Category 7: Products applied to the hair with some hand contact Category 7A: Rinse-off products applied to the hair with some hand contact 3.00 % Category 7B: Leave-on products applied to the hair with some hand contact 3.00 % Category 8: Products with significant anogenital exposure 0.20 % Category 9: Products with body and hand exposure, primarily rinse off 4.60 %   Category 10: Household care products with mostly hand contact Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) 4.60 % Category 10B: Household aerosol/spray products 17.00 %   Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure 0.20 % Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure 0.20 % Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin No Restriction   Notes: IFRA FLAVOR REQUIREMENTS: Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.   Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library publication number: 24 Click here to view publication 24   average usual ppm average maximum ppm baked goods: 4.00000 20.00000 beverages(nonalcoholic): 10.00000 30.00000 beverages(alcoholic): 10.00000 30.00000 breakfast cereal: 10.00000 30.00000 cheese: - - chewing gum: 50.00000 500.00000 condiments / relishes: - - confectionery froastings: 20.00000 100.00000 egg products: - - fats / oils: 10.00000 50.00000 fish products: - - frozen dairy: 8.00000 50.00000 fruit ices: 8.00000 50.00000 gelatins / puddings: 8.00000 50.00000 granulated sugar: - - gravies: - - hard candy: 20.00000 100.00000 imitation dairy: 10.00000 30.00000 instant coffee / tea: 10.00000 50.00000 jams / jellies: - - meat products: - - milk products: 10.00000 30.00000 nut products: - - other grains: - - poultry: - - processed fruits: 10.00000 30.00000 processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: 20.00000 100.00000 snack foods: - - soft candy: 20.00000 100.00000 soups: 8.00000 50.00000 sugar substitutes: - - sweet sauces: - -   Safety References: EPI System: View Daily Med:search Chemical Carcinogenesis Research Information System:Search AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):23089-26-1 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :442343 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol Chemidplus:0023089261   References:   (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 23089-26-1 Pubchem (cid): 442343 Pubchem (sid): 135019623 Flavornet: 23089-26-1   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 KEGG (GenomeNet): C09621 HMDB (The Human Metabolome Database): HMDB36197 FooDB: FDB015053 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View Wikipedia: View FAO: alpha-Bisabolol   Potential Blenders and core components note For Odor coconut alpha- angelica lactone FL/FR gamma- heptalactone FL/FR fatty coconut absolute FL/FR fruity allyl 2-ethyl butyrate FL/FR benzaldehyde FL/FR guaiacyl propionate FL/FR For Flavor No flavor group found for these cocos nucifera water FL guaiacyl propionate FL/FR methyl 2-(methyl thio) acetate FL burnt burnt 2- methyl quinoxaline FL creamy alpha- angelica lactone FL/FR ethereal allyl 2-ethyl butyrate FL/FR fatty coconut absolute FL/FR fruity benzaldehyde FL/FR lactonic gamma- heptalactone FL/FR   Potential Uses:   skin conditioning   soothing agents   Occurrence (nature, food, other):note   chamomile german chamomile Search Trop Picture   chamomile sweet false chamomile flower Search Trop Picture   Synonyms:   bisabalol alpha natural   bisabolife (-)-(1'S,2S)-a- bisabolol (-)-(4S,8S)-a- bisabolol (-)-a- bisabolol a-(-)- bisabolol L-a- bisabolol L-alpha- bisabolol laevo-alpha- bisabolol a- bisabolol (-)-form alpha- bisabolol (-)-form   bisabolol alpha natural L-alpha- bisabolol natural 3- cyclohexene-1-methanol, a,4-dimethyl-a-(4-methyl-3-penten-1-yl)-, (aS,1S)- (aS,1S)-a,4- dimethyl-a-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol (S-(theta,theta))-alpha,4- dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol   levomenol (-)-6- methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol (2S)-6- methyl-2-[(1S)-4-methyl-3-cyclohexen-1-yl]-5-hepten-2-ol (2S)-6- methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol   Articles:   None found yet. Try the PubMed Search.

Notes: Isol. from essential oil of Matricaria chamomilla (German chamomile)