5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-naphthoquinone

Basic Information

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CAS Number

54952-43-1

Molecular Formula

C16H16O5

Molecular Weight

288.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

Not available

Boiling Point

567.4±50.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

311.0±26.6 °C

Solubility

methanol: soluble1mg/mL

Vapor Pressure

0.0±1.6 mmHg at 25°C

SMILES

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CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C

InChI

InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3

InChIKey

NEZONWMXZKDMKF-UHFFFAOYSA-N

LogP

2.120400000000001

Topological Polar Surface Area

94.83000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

501

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Storage Conditions

2-8℃

Synonyms & References

English

(+-)-Shikalkin
HY-N6004
3-(2,2-Dimethylpropionylamino)isonicotinicacid
ARNEBIN-4
5,8-DIHYDROXY-2-(1-HYDROXY-4-METHYLPENT-3-EN-1-YL)NAPHTHALENE-1,4-DIONE
1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (+)-
BCP29329
KBioSS_000610
(+)-Shikonin
(+-)-Alkannin
NSC-291845
NS00123717
NSC 291845
1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)- (9CI)
KBio2_003178
(+/-)-5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone
Shikonine
BDBM178090
11019-15-1
natural red 20
CHEMBL29285
SCHEMBL3182028
NCI60_002031
5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione
5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone
C.I. Natural Red 20 (VAN)
(+-)-Shikonin
Shikonin, >=98% (HPLC)
85251-58-7
5,8-Dihydroxy-6-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione
(+/-)-Alkannin

MDL Number

MFCD00016668

FAQ

What is 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-naphthoquinone (CAS: 54952-43-1)?

5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-naphthoquinone is a chemical compound with the CAS number 54952-43-1. It is a quinone derivative with a complex structure, characterized by its aromatic rings and hydroxy groups. This compound is used in research and pharmaceutical applications due to its unique chemical properties.

What are the main uses of 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-naphthoquinone (CAS: 54952-43-1)?

5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-naphthoquinone is primarily used in research and pharmaceutical applications. It can be utilized in the development of new drugs and as a reagent in biochemical assays due to its quinone structure and hydroxyl groups.

Is 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-naphthoquinone (CAS: 54952-43-1) safe?

5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-naphthoquinone is generally safe when handled with appropriate precautions. Users should avoid skin contact and inhalation of dust. Protective gloves and goggles are recommended. Proper ventilation is essential during use. Follow manufacturer's instructions for safe handling and disposal.

How should 5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-naphthoquinone (CAS: 54952-43-1) be stored?

5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-penten-1-yl)-1,4-naphthoquinone should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to protect it from moisture and air. Store it at room temperature or in a refrigerator, depending on the specific requirements of the manufacturer. Ensure that the storage area is well-ventilated to prevent the accumulation of flammable vapors.