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Cas Database |
| Name |
Acetylshikonin |
EINECS | N/A |
| CAS No. | 24502-78-1 | Density | 1.326 g/cm3 |
| PSA | 100.90000 | LogP | 2.69120 |
| Solubility | N/A | Melting Point |
86°C |
| Formula | C18H18O6 | Boiling Point | 553.2 °C at 760 mmHg |
| Molecular Weight | 330.337 | Flash Point | 201.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate;1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl acetate;1,4-naphthalenedione, 2-[1-(acetyloxy)-4-methyl-3-penten-1-yl]-5,8-dihydroxy-;(+)-5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone2-acet;NSC 110199;(R)-1-(1,4-Dihydro-5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methyl-3-pentenyl=acetate; |
Article Data | 4 |
Acetylshikonin Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 41mg/kg (41mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 73, Pg. 193, 1977. |
| mouse | LD50 | oral | > 1gm/kg (1000mg/kg) | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 73, Pg. 193, 1977. |
Acetylshikonin Specification
The Acetylshikonin with the cas number 24502-78-1,is also called [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate by IUPAC.The product category of the Acetylshikonin is miscellaneous natural products.The properties of the Acetylshikonin are :(1)#H bond acceptors: 6 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 7 ; (4)Polar Surface Area: 78.9 Å2 ; (5)Index of Refraction: 1.601 ; (6)Molar Refractivity: 85.36 cm3 ; (7)Molar Volume: 248.9 cm3 ; (8)Polarizability: 33.84×10-24cm3 ; (9)Surface Tension: 57.3 dyne/cm ; (10)Flash Point: 201.3 °C ; (11)Enthalpy of Vaporization: 86.51 kJ/mol ; (12)Vapour Pressure: 7.56×10-13 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following：(1)Irritating to eyes, respiratory system and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing, gloves and eye/face protection.
This product can be supplied by the following suppliers :(1)Topharman Shanghai Co., Ltd ; (2)Link Chemicals Co.,Ltd ; (3)Lanospharma Laboratories Co.,Ltd; (4)Hangzhou Sunny Chemical Co., Ltd ; (5)Shanghai PI Chemicals Ltd. ; (6)Nanjing Chemlin Chemical Co., Ltd; (7)Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd ; (8)AlliChem, LLC ; (9)3B Scientific Corporation etc.
You can still convert the following datas into molecular structure :
1、O=C\2c1c(O)ccc(O)c1C(=O)/C(=C/2)C(OC(=O)C)C\C=C(/C)C
2、InChI=1/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3
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