Emodin

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Names

[ CAS No. ]:
518-82-1

[ Name ]:
Emodin

[Synonym ]:
6-Methyl-1,3,8-trihydroxyanthraquinone
MFCD00001207
Ecdyson
1,3,8-Trihydroxy-6-methylanthracene-9,10-dione
Alatinone
1,3,8-Trihydroxy-6-methylanthraquinone
EMODINE
1,3,8-Tri-hydroxy-6-methyl-anthra-quinone
Emodin
EMODIN 99
1,3,8-trihydroxy-6-methyl-9,10-anthraquinone
EINECS 208-258-8
EMODOL
Archin
schuttgelb
Emdin

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
586.9±39.0 °C at 760 mmHg

[ Melting Point ]:
255 °C (dec.)(lit.)

[ Molecular Formula ]:
C₁₅H₁₀O₅

[ Molecular Weight ]:
270.237

[ Flash Point ]:
322.8±23.6 °C

[ Exact Mass ]:
270.052826

[ PSA ]:
94.83000

[ LogP ]:
5.03

[ Vapour Pressure ]:
0.0±1.7 mmHg at 25°C

[ Index of Refraction ]:
1.745

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
DMSO: soluble | <0.1 g/100 mL at 19 ºC

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CB7920600

CHEMICAL NAME :: Anthraquinone, 6-methyl-1,3,8-trihydroxy-

CAS REGISTRY NUMBER :: 518-82-1

BEILSTEIN REFERENCE NO. :: 1888141

LAST UPDATED :: 199712

DATA ITEMS CITED :: 14

MOLECULAR FORMULA :: C15-H10-O5

MOLECULAR WEIGHT :: 270.25

WISWESSER LINE NOTATION :: L C666 BV IVJ DQ FQ L1 NQ

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 :: 35 mg/kg

TOXIC EFFECTS :: Gastrointestinal - other changes

MUTATION DATA

TYPE OF TEST :: Mutation in mammalian somatic cells

TEST SYSTEM :: Rodent - hamster Lung

DOSE/DURATION :: 10 mg/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 240,1,1990

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
CB7920600

[ HS Code ]:
2932999099

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(3,8-diacetyloxy-6-methyl-9,10-dioxo-anthracen-1-yl) acetate
1-hydroxy-6,8-dimethoxy-3-methylanthracene-9,10-dione
1,4-Naphthalenedione,5-hydroxy-7-methyl-
Emodinanthrone
3,3-Dimethylacrylic acid
trimethylsilyl 3-methylbut-2-enoate
5-hydroxy-7-methyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
7-methyl-5-((trimethylsilyl)oxy)-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
1,4-Benzoquinone

DownStream

Protohypericin
Emodinanthrone
Chrysophanic acid
2-METHYLANTHRACENE
Physcion
1-O-Methylemodin
Questin
[4,5-diacetyloxy-7-(bromomethyl)-9,10-dioxoanthracen-2-yl] acetate
9,10-Anthracenedione,1,4,5,7-tetrahydroxy-2-methyl-
1-hydroxy-6,8-dimethoxy-3-methylanthracene-9,10-dione

Customs

[ HS Code ]: 2914690090

[ Summary ]:
2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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