Dimethylacrylshikonin

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Names

[ Name ]:
Dimethylacrylshikonin

[Synonym ]:
(BETA,BETA-DIMETHYLACRYL)SHIKONIN
2-Butenoic acid, 3-methyl-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester
dmask
1,4-Naphthalenedione, 5,8-dihydroxy-2-[(1R,3E)-1-hydroxy-4,8-dimethyl-6-oxo-3,7-nonadien-1-yl]-
2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (R)-
(1R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-penten-1-yl 3-methyl-2-butenoate
2-Butenoic acid, 3-methyl-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-yl ester
Senecioylshikonin
Dimethylacrylshikonin
Isoarnebin I
b,b-Dimethylacrylshikonin
5,8-Dihydroxy-2-[(1R,3E)-1-hydroxy-4,8-dimethyl-6-oxo-3,7-nonadien-1-yl]-1,4-naphthoquinone
(β,β-DiMethylacryl)shikonin

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
653.2±55.0 °C at 760 mmHg

[ Melting Point ]:
103ºC

[ Molecular Formula ]:
C₂₁H₂₂O₆

[ Molecular Weight ]:
370.396

[ Flash Point ]:
362.8±28.0 °C

[ Exact Mass ]:
370.141632

[ PSA ]:
100.90000

[ LogP ]:
4.45

[ Vapour Pressure ]:
0.0±2.1 mmHg at 25°C

[ Index of Refraction ]:
1.616

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EM9252400

CHEMICAL NAME :: 2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl )-4-methyl- 3-pentenyl ester, (+)-

CAS REGISTRY NUMBER :: 24502-79-2

LAST UPDATED :: 198208

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H22-O6

MOLECULAR WEIGHT :: 370.43

WISWESSER LINE NOTATION :: L66 BV EVJ CY2UY1&1&OV1UY1&1 GQ JQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 48 mg/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 1,60,1980

Safety Information

[ Safety Phrases ]:
22-24/25

[ RTECS ]:
EM9252400

[ HS Code ]:
2916129000

Customs

[ HS Code ]: 2916129000

[ Summary ]:
2916129000 other esters of acrylic acid VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%