CAS No.518-82-1,Emodin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	518-82-1
Name:	Emodin
Article Data:	56

Formula:	C₁₅H₁₀O₅
Molecular Weight:	270.241
Synonyms:	6-Methyl-1,3,8-trihydroxyanthraquinone;Frangula emodin;1,3, 8-Trihydroxy-6-methylanthraquinone;6-Methyl-1,3,8-trihydroxy-9,10-anthracenedione;1,3, 8-Trihydroxy-6-methyl-9,10-anthraquinone;9,10-Anthracenedione,1,3,8-trihydroxy-6- methyl-;Anthraquinone, 6-methyl-1,3,8-trihydroxy-;Anthraquinone, 1,3,8-trihydroxy-6-methyl-;Rheum emodin;1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione;9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl-;C.I. 75440;9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- (9CI);1,3,8-Trihydroxy-6-methylanthraquinone;3-Methyl-1,6, 8-trihydroxyanthraquinone;Huperzines A;Polygonum Cuspidatum P.E;Emodine;
EINECS:	208-258-8
Density:	1.583 g/cm³
Melting Point:	255 °C (dec.)(lit.)
Boiling Point:	586.9 °C at 760 mmHg
Flash Point:	322.8 °C
Solubility:	<0.1 g/100 mL at 19 °C in water
Appearance:	red-orange powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39-36/37
PSA:	94.83000
LogP:	1.88720

Synthetic route

: 6030-60-0
1,6,8-triacetoxy-3-methyl-9,10-anthraquinone

: 518-82-1
1,6,8-trihydroxy-3-methyl-9,10-anthraquinone

Conditions

Conditions	Yield
With sodium hydroxide at 80℃; for 2h;	100%
With water; trifluoroacetic acid at 72℃; for 20h;	42%

: 521-61-9
physcion

: 518-82-1
1,6,8-trihydroxy-3-methyl-9,10-anthraquinone

Conditions

Conditions	Yield
With boron tribromide In dichloromethane at 0 - 20℃; Inert atmosphere;	98%
With hydrogen bromide; acetic acid
With hydrogen bromide

: 1396259-15-6
(R)-3,4-dihydro-3,8,9,10-tetrahydroxy-6-methylanthracen-1(2H)-one

A: 481-74-3
Chrysophanol

B: 518-82-1
1,6,8-trihydroxy-3-methyl-9,10-anthraquinone

C: 39546-16-2, 115729-00-5
(−)-flavoskyrin

Conditions

Conditions	Yield
With oxygen In aq. phosphate buffer; acetonitrile at 10℃; for 10h; pH=6; Solvent;	A 10% B n/a C 72%

...Expand

: 6414-42-2
1,3,8-trimethoxy-6-methyl-9,10-anthraquinone

: 518-82-1
1,6,8-trihydroxy-3-methyl-9,10-anthraquinone

Conditions

Conditions	Yield
With sulfuric acid at 160℃;

: 481-70-9
endocrocin

: 518-82-1
1,6,8-trihydroxy-3-methyl-9,10-anthraquinone

Conditions

Conditions	Yield
at 320℃;
With quinoline; copper oxide-chromium oxide at 170 - 190℃;

: 54130-71-1
2-(2-hydroxy-4-methyl-benzoyl)-3,5-dimethoxy-benzoic acid

: 518-82-1
1,6,8-trihydroxy-3-methyl-9,10-anthraquinone

Conditions

Conditions	Yield
With sulfuric acid; sulfur trioxide; boric acid Erhitzen des Reaktionsprodukts mit KBr und H3PO4;

: 861790-72-9
1,3-diamino-8-hydroxy-6-methyl-anthraquinone

: 518-82-1
1,6,8-trihydroxy-3-methyl-9,10-anthraquinone

Conditions

Conditions	Yield
With sulfuric acid Diazotization.Erhitzen des Reaktionsgemisches auf dem Wasserbad;
With sulfuric acid Diazotization.Erhitzen des Reaktionsgemisches auf dem Wasserbad;

: 4923-54-0
5,7-dihydroxy-1,4-naphthoquinone

: 155787-91-0
3-methyl-1-triethylsilyloxy-1-trimethylsilyloxy-1,3-butadiene

: 518-82-1
1,6,8-trihydroxy-3-methyl-9,10-anthraquinone

Conditions

Conditions	Yield
With hydrogenchloride 1.) toluene, 80-100 deg C, 3 h; 2.) MeOH, rt., 10 h; Yield given. Multistep reaction;

: 5018-84-8
emodin-6,8-di-O-methyl ether

: 518-82-1
1,6,8-trihydroxy-3-methyl-9,10-anthraquinone

Conditions

Conditions	Yield
With hydrogen bromide In acetic acid Heating;
With hydrogen bromide In acetic acid for 24h; Heating;	6 mg
Multi-step reaction with 2 steps 1: AlCl3 2: HBr View Scheme

: 81892-82-2
1,2,6,7,8-pentamethoxy-3-methylanthraquinone

: 518-82-1
1,6,8-trihydroxy-3-methyl-9,10-anthraquinone

Conditions

Conditions	Yield
With chromium(VI) oxide; phosphorus; hydrogen iodide 1.) reflux, 5.5 h; 2.) Ac2O, AcOH, reflux, 2 h; Yield given. Multistep reaction;

Raw Materials

541-47-9

10034-85-2

106-51-4

521-61-9

Downstream Products

548-03-8

491-60-1

521-61-9

481-74-3

3774-64-9

3775-08-4

613-12-7

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Chemistry

Molecular Structure of Emodin (CAS NO.518-82-1):

IUPAC Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione
Empirical Formula: C₁₅H₁₀O₅
Molecular Weight: 270.2369
CAS Registry Number: 518-82-1
EINECS: 208-258-8
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 3
Polar Surface Area: 61.83Å²
Index of Refraction: 1.744
Molar Refractivity: 69.13 cm³
Molar Volume: 170.6 cm³
Surface Tension: 85.4 dyne/cm
Density: 1.583 g/cm³
Flash Point: 322.8 °C
Enthalpy of Vaporization: 90.88 kJ/mol
Boiling Point: 586.9 °C at 760 mmHg
Vapour Pressure: 2.27E-14 mmHg at 25°C
Melting point: 253-257^oC
Water solubility: <0.1 g/100 mL at 19^oC
Storage temp: 2-8^°C
Product Categories: Anthraquinones, Hydroquinones and Quinones; Anthraquinones; Hydroxyanthraquinones; Natural Plant Extract; The group of Polydatin; Protein Kinase; plant extract; Nutritional Ingredients

Toxicity Data With Reference

1.	mmo-sat 50 µg/plate	BCSTB5 Biochemical Society Transactions. 5 (1977),1489.
2.	mma-sat 10 µg/plate	MUREAV Mutation Research. 125 (1984),135.
3.	ipr-mus LD50:35 mg/kg	JAFCAU Journal of Agricultural and Food Chemistry. 27 (1979),1342.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 3
RTECS: CB7920600
F: 8-10-23

Specification

Emodin , with CAS number of 518-82-1, can be called 1,3,8-Trihydroxy-6-methylanthraquinone ; 6-Methyl-1,3,8-trihydroxyanthraquinone ; C.I. 75440 ; C.I. Natural Yellow 14 ; 1,3,8-Trihydroxy-6-methylanthraquinone ; 1,3,8-trihydroxy-6-methylanthra-9,10-quinone . Emodin (CAS NO.518-82-1) is a purgative resin from rhubarb and the buckthorn. The term may also refer to any one of a series of principles isomeric with the emodin of rhubarb. When heated to decomposition Emodin emits acrid smoke and irritating fumes.