(R)-acetyl shikonin
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate

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  CODE141483 CODE141483
  Product(s):
  24502-78-1 Acetylshikonin: 1,4-Naphthalenedione,2-[1-(acetyloxy)-4-methyl-3-pentenyl]-5,8-dihydroxy-, (R)-, >98%

Name: [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate CAS Number: 24502-78-1 3D/inchi FDA UNII: ST04094S3X Nikkaji Web: J61.696F MDL: MFCD00143538 XlogP3-AA: 3.50 (est) Molecular Weight: 330.33666000 Formula: C18 H18 O6 BioActivity Summary: listing 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: 553.23 °C. @ 760.00 mm Hg (est) Flash Point: 394.00 °F. TCC ( 201.30 °C. ) (est) logP (o/w): 2.700 (est) Soluble in:   water, 3.901 mg/L @ 25 °C (est)   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Alfa Biotechnology For experimental / research use only. Acetylshikonin 98% BOC Sciences For experimental / research use only. Acetylshikonin: 1,4-Naphthalenedione,2-[1-(acetyloxy)-4-methyl-3-pentenyl]-5,8-dihydroxy-, (R)-, >98% Nacalai USA For experimental / research use only. Acetylshikonin   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: intraperitoneal-mouse LD50 41 mg/kg BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 73, Pg. 193, 1977. oral-mouse LD50 > 1000 mg/kg Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 73, Pg. 193, 1977. Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: natural substances and extractives Recommendation for (R)-acetyl shikonin usage levels up to:   not for fragrance use.   Recommendation for (R)-acetyl shikonin 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 :479501 National Institute of Allergy and Infectious Diseases:Data [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate Chemidplus:0024502781   References:   [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 479501 Pubchem (sid): 134995067   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 CHEMBL: View 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   gromwell purple gromwell Search Trop Picture   Synonyms:   acetic acid (R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-4-methyl-pent-3-enyl ester (R)-2-(1-( acetyl oxy)-4-methyl-3-pentenyl)-5,8-dihydroxy-1,4-naphthalene dione (R)- acetylalkannin (R)- acetylshikonin (1R)-1-(5,8- dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl acetate (1R)-1-(5,8- dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-enyl acetate [(1R)-1-(5,8- dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate (+)-5,8-8- dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone 2-acetate 1,4- naphthalenedione, 2-(1-(acetyloxy)-4-methyl-3-pentenyl)-5,8-dihydroxy-, (R)- 1,4- naphthalenedione, 2-[(1R)-1-(acetyloxy)-4-methyl-3-penten-1-yl]-5,8-dihydroxy- 1,4- naphthalenedione, 2-[1-(acetyloxy)-4-methyl-3-pentenyl]-5,8-dihydroxy-, (R)- (R)- shikonin, acetyl   Articles:   None found yet. Try the PubMed Search.

Notes: None found