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[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate
Notes:
None found
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| 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 or firefox) | |
Category: natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
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| 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 |