Product Name

  • Name

    Acetylshikonin

  • EINECS
  • CAS No. 24502-78-1
  • Article Data4
  • CAS DataBase
  • Density 1.326 g/cm3
  • Solubility
  • 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
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 24502-78-1 (Acetylshikonin)
  • Hazard Symbols
  • 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;
  • PSA 100.90000
  • LogP 2.69120

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 Å ; (5)Index of Refraction:  1.601  ; (6)Molar Refractivity:  85.36 cm3  ; (7)Molar Volume:  248.9 cm ; (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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