(R)-acetyl shikonin

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

CAS: 24502-78-1 C18 H18 O6 MW: 330.33666000

Identification

Name(R)-acetyl shikonin
IUPAC[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate
CAS Number24502-78-1
FDA UNIIST04094S3X
Molecular FormulaC18 H18 O6
Molecular Weight330.33666000
MDL NumberMFCD00143538
Nikkaji NumberJ61.696F

Regulatory

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)

No sensory data available

Safety Information

Oral/Parenteral Toxicityintraperitoneal-mouse LD50 41 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categorynatural substances and extractives
Recommendation for (R)-acetyl shikonin usage levels up tonot for fragrance use.
Recommendation for (R)-acetyl shikonin flavor usage levels up tonot for flavor use.

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24502-78-1 Acetylshikonin: 1,4-Naphthalenedione,2-
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Potential Uses

None Found

Natural Occurrence

gromwell purple gromwell

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 Try the PubMed Search.