Emodin supplier | CasNO.518-82-1

Name
Emodin
EINECS 208-258-8
CAS No. 518-82-1
Article Data56
CAS DataBase
Density 1.583 g/cm³
Solubility <0.1 g/100 mL at 19 °C in water
Melting Point 255 °C (dec.)(lit.)
Formula C₁₅H₁₀O₅
Boiling Point 586.9 °C at 760 mmHg
Molecular Weight 270.241
Flash Point 322.8 °C
Transport Information
Appearance red-orange powder
Safety 26-36-37/39-36/37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
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;

: 127506-72-3
euxanmodin A

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

B: 529-61-3
euxanthone

Conditions

Conditions	Yield
With alkaline dithionite

: 3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-7'-((E)-3,7-dimethyl-octa-2,6-dienyloxy)-2,4,5,4',5'-pentahydroxy-7,2'-dimethyl-9H,9'H-[9,9']bianthracenyl-10,10'-dione

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

B: 2-geranyl-1,8-dihydroxy-6-methylanthraquinone

Conditions

Conditions	Yield
With iron(III) chloride In sulfuric acid for 1h; Heating;

: vismione D

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

B: 87605-71-8
3-geranyloxy-6-methyl-1,8-dihydroxy-anthraquinone

Conditions

Conditions	Yield
In pyridine for 3h; Ambient temperature;

: 87605-71-8
3-geranyloxy-6-methyl-1,8-dihydroxy-anthraquinone

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

Conditions

Conditions	Yield
With sulfuric acid In methanol for 5h; Heating;	20 mg

: Acetic acid 4-hydroxy-5-methoxy-7-methyl-9,10-dioxo-9,10-dihydro-anthracen-2-yl ester

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

Conditions

Conditions	Yield
With hydrogen bromide In acetic acid

: 491-60-1
emodinanthrone

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

Conditions

Conditions	Yield
Product distribution; Mechanism; biotransformation by emodinanthrone oxygenase from Aspergillus terreus: relative activity;
With His-ActVA-ORF5 monooxygenase; His-ActVA-VB monooxygenase; NADH; Flavin mononucleotide; sodium hydroxide; 2,2'-piperazine-1,4-diyl-bis-ethanesulfonic acid; catalase In ethyl methyl ether at 25℃; for 0.166667h; pH=7; Kinetics; Reagent/catalyst; Enzymatic reaction;

emodin anthranol: emodin anthranol

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

Conditions

Conditions	Yield
With chromium(VI) oxide; acetic acid at 50℃;

emodinol: emodinol

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

Conditions

Conditions	Yield
With chromium; acetic acid

: 521-61-9
physcion

: 7664-93-9
sulfuric acid

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

Conditions

Conditions	Yield
at 160℃;

: 7664-93-9
sulfuric acid

: 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
at 160℃;

: 491-60-1
emodinanthrone

: 64-19-7
acetic acid

CrO3: CrO3

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

...Expand

: 476-46-0
catenarin

: 10034-85-2
hydrogen iodide

: 64-19-7
acetic acid

red phosphorus: red phosphorus

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

Conditions

Conditions	Yield
Erwaermen des Reaktionsprodukts mit CrO3 in wss.Essigsaeure;

...Expand

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

AlCl3 (1part ): AlCl3 (1part )

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

B emodinmonomethyl ether: emodinmonomethyl ether

C emodindimethyl ether (?): emodindimethyl ether (?)

Conditions

Conditions	Yield
at 115℃;

...Expand

: 491-61-2
emodin anthrone

air oxygen: air oxygen

alkali: alkali

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

...Expand

: 541-47-9
3-Methylbutenoic acid

aqueous HOCl: aqueous HOCl

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

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 87 percent / 12 h / Heating 2: BuLi/i-Pr2NH / tetrahydrofuran / - 20 deg C, 30 min, then rt., 12 h 3: 2.) 5percent HCl / 1.) toluene, 80-100 deg C, 3 h; 2.) MeOH, rt., 10 h View Scheme

: 25436-25-3
Trimethylsilyl 3-methyl-2-butenoate

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: BuLi/i-Pr2NH / tetrahydrofuran / - 20 deg C, 30 min, then rt., 12 h 2: 2.) 5percent HCl / 1.) toluene, 80-100 deg C, 3 h; 2.) MeOH, rt., 10 h View Scheme

: vismione D

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: pyridine / 3 h / Ambient temperature 2: 20 mg / 2N H2SO4 / methanol / 5 h / Heating View Scheme

: 14787-38-3
7-methyljuglone

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

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: benzene / 24 h / Ambient temperature 2: KOH, sodium nitrosodisulfonate / CH2Cl2; methanol / 2 h / Ambient temperature 3: 92 percent / 0.5 h / 160 °C 4: 35percent aq.HBr / acetic acid / Heating View Scheme
Multi-step reaction with 3 steps 2: AlCl3 3: HBr View Scheme

: 139565-30-3
1,4-dihydro-1,3-dimethoxy-8-hydroxy-6-methyl-1,4-ethano-9,10-anthraquinone

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 92 percent / 0.5 h / 160 °C 2: 35percent aq.HBr / acetic acid / Heating View Scheme

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

: 108-24-7
acetic anhydride

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

Conditions

Conditions	Yield
With pyridine at 60 - 70℃; for 4h;	98%
With pyridine at 70℃; for 4h;	98%
With pyridine at 70℃; for 4h;	98%

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

: 77-78-1
dimethyl sulfate

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

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium carbonate for 0.333333h; microwave, 600 W (75 deg C);	98%
With tetrabutylammomium bromide; potassium carbonate at 75℃; for 0.333333h; microwave irradiation;	98%
With potassium carbonate In acetonitrile Inert atmosphere; Reflux;	98%

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

: 491-60-1
emodinanthrone

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid; tin(ll) chloride at 120℃; for 24h;	98%
With hydrogenchloride; tin(II) chloride dihdyrate; acetic acid for 2h; Reflux; Green chemistry;	96%
With hydrogenchloride; acetic acid; tin(ll) chloride In water for 2h; Reflux;	95%

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

: 478-45-5
emodic acid

Conditions

Conditions	Yield
Stage #1: 1,6,8-trihydroxy-3-methyl-9,10-anthraquinone With chromium(VI) oxide In acetic anhydride; acetic acid at 65℃; for 8h; Stage #2: With sodium carbonate In water	98%
Stage #1: 1,6,8-trihydroxy-3-methyl-9,10-anthraquinone With pyridine at 20℃; Stage #2: With chromium(VI) oxide; acetic anhydride; acetic acid In water at 45 - 65℃; for 8h;	98%
Multi-step reaction with 3 steps 1: 85 percent / H2SO4 / 0.67 h / 60 °C 2: 84 percent / CrO3 / acetic acid; acetic anhydride / 3.5 h / 70 °C 3: 85 percent / aq. NaOH / 2 h / 80 °C View Scheme
Multi-step reaction with 3 steps 1: 130 mg / conc. sulfuric acid / 0.5 h / 70 °C 2: 21 mg / chromium(IV) oxide / acetic acid; acetic anhydride / 24 h / Ambient temperature 3: 2 N potassium hydroxide / 0.25 h / 75 °C View Scheme
Multi-step reaction with 3 steps 1: pyridine / 4 h / 70 °C 2: chromic acid; acetic anhydride; acetic acid; chromium(VI) oxide / 24 h / 70 °C 3: potassium hydroxide / 0.5 h / 70 °C View Scheme

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

: 598-31-2
1-bromoacetone

: 6-(2-oxopropoxy)-1,8-dihydroxy-3-methylanthra-9,10-quinone

Conditions

Conditions	Yield
With potassium carbonate In acetone at 45 - 50℃;	97%

: 358-23-6
trifluoromethylsulfonic anhydride

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

: 401621-24-7
3-trifluoromethanesulfonyloxy-1,8-dihydroxy-6-methyl-anthraquinone

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0℃; for 4h;	95%

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

: 107-15-3
ethylenediamine

: 1-((2-aminoethyl)amino)-2,4,5-trihydroxy-7-methylanthracene-9,10-dione

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene at 20℃; for 5h; Inert atmosphere;	95%
With [bis(acetoxy)iodo]benzene at 20℃; for 5h;	24%

: 14794-31-1
ethyl 3-(chloroformyl)propionate

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

: 1,8-dihydroxy-6-methyl-9,10-anthraquinone-3-oxy ethyl succinate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0 - 20℃; for 3h;	94.7%

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

: 134070-50-1
4-bromo-3-methyl-1,6,8-trihydroxyanthraquinone

Conditions

Conditions	Yield
With 1,4-dioxane dibromide In acetic acid at 25℃;	94%

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

: 18521-77-2
7-bromo-1,6,8-trihydroxy-3-methylanthraquinone

Conditions

Conditions	Yield
With 1,4-dioxane dibromide In diethyl ether at 5℃;	94%
With bromine In dichloromethane for 3h; Ambient temperature;

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

: 74-88-4
methyl iodide

: 521-61-9
physcion

Conditions

Conditions	Yield
With potassium carbonate; silver(l) oxide In acetone at 20℃; for 16h;	92%
With potassium carbonate In acetone Inert atmosphere; Reflux;	77%
With potassium carbonate In acetone for 18h; Reflux;	44%
With sodium methylate at 60℃;

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

: 112-82-3
hexadecanyl bromide

: 1204768-60-4
3-hexadecyloxy-1,8-dihydroxy-6-methylanthracene-9,10-dione

Conditions

Conditions	Yield
With sodium carbonate In N,N-dimethyl-formamide at 20 - 120℃; for 0.25h; Microwave irradiation;	90.2%
With potassium carbonate In N,N-dimethyl-formamide at 60 - 70℃; for 4h;

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

: 1,3-dibromo-2,4,5-trihydroxy-7-methylanthracene-9,10-dione

Conditions

Conditions	Yield
With N-Bromosuccinimide In tetrahydrofuran at 0 - 20℃; Reflux; Inert atmosphere;	90%
With N-Bromosuccinimide In tetrahydrofuran at 20℃;	80%
With N-Bromosuccinimide In tetrahydrofuran at 20℃;

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

: 143-15-7
1-dodecylbromide

: 1204768-48-8
3-(dodecyloxy)-1,8-dihydroxy-6-methylanthracene-9,10-dione

Conditions

Conditions	Yield
With sodium carbonate In N,N-dimethyl-formamide at 20 - 120℃; for 0.25h; Microwave irradiation;	89%
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 4h; Inert atmosphere;	78%
With potassium carbonate In N,N-dimethyl-formamide at 60 - 70℃; for 4h;

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

: C15H7Cl8O7P3

Conditions

Conditions	Yield
With phosphorus pentachloride; water In benzene Hydrolysis; phosphorylation;	88%

: 111-25-1
1-bromo-hexane

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

: 1204768-25-1
3-hexyloxy-1,8-dihydroxy-6-methylanthracene-9,10-dione

Conditions

Conditions	Yield
With sodium carbonate In N,N-dimethyl-formamide at 20 - 120℃; for 0.25h; Microwave irradiation;	87.5%

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

: 75-04-7
ethylamine

: 1-(ethylamino)-2,4,5-trihydroxy-7-methylanthracene-9,10-dione

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene In water at 20℃; for 5h; Inert atmosphere;	87%

: 109-65-9
1-bromo-butane

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

: 1204768-17-1
3-butoxy-1,8-dihydroxy-6-methylanthracene-9,10-dione

Conditions

Conditions	Yield
With sodium carbonate In N,N-dimethyl-formamide at 20 - 120℃; for 0.25h; Microwave irradiation;	86.7%

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

: 134070-56-7
3-bromomethyl-1,6,8-trihydroxy-anthraquinone

Conditions

Conditions	Yield
With Perbenzoic acid; bromine In 1,4-dioxane for 2h; Heating;	86%

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

: 1-chloro-2,4,5-trihydroxy-7-methyl-anthracene-9,10-dione

Conditions

Conditions	Yield
With sulfuryl dichloride In dichloromethane; chloroform; acetonitrile at 20℃; for 48h; Inert atmosphere; regioselective reaction;	86%
With hydrogenchloride; dihydrogen peroxide; acetic acid at 78℃; for 0.5h;

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

: 134070-53-4
2,4,5,7-tetrabromo-3-methyl-1,6,8-trihydroxyanthraquinone

Conditions

Conditions	Yield
With bromine; iodine In tetrachloromethane; ethanol at 170 - 180℃; for 18h;	85%

: 1809-19-4
dibutyl hydrogen phosphite

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

: 6-dibutoxyphosphinyloxy-1,8-dihydroxy-3-methylanthraquinone

Conditions

Conditions	Yield
With triethylamine In tetrachloromethane; isopropyl alcohol for 14h; Ambient temperature;	85%

: 1809-20-7
diisopropyl hydrogenphosphonate

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

: 6-diisopropoxyphosphinyloxy-1,8-dihydroxy-3-methylanthraquinone

Conditions

Conditions	Yield
With triethylamine In tetrachloromethane; isopropyl alcohol for 14h; Ambient temperature;	85%

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

: 2-iodo-1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione

Conditions

Conditions	Yield
With iodine; sodium hydrogencarbonate In tetrahydrofuran; water at 0 - 20℃; for 0.5h; w;	85%
With iodine; sodium hydrogencarbonate In tetrahydrofuran; water at 0 - 20℃; Reflux; Inert atmosphere;	78%
With peracetic acid; phosphoric acid; sodium iodide In ethanol
With iodine; sodium hydrogencarbonate In water

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

: 29584-99-4
3-bromo-hexan-2-one

: 6-(1-propyl-2-oxopropoxy)-1,8-dihydroxy-3-methylanthra-9,10-quinone

Conditions

Conditions	Yield
With potassium carbonate In acetone at 45 - 50℃;	85%

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

: (Z)-1-(1,3,8-trihydroxy-9-anthracene-10-on-6-yl)-2-(meso-tetraphenylporphyrin-4-yl)ethene

: (Z)-1-meso-tetraphenylporphyrin-4-yl-2-(1,8,10,12,13,15-hexahydroxy-dibenzo[oa]perylene-3-yl)ethene

Conditions

Conditions	Yield
With potassium tert-butylate In N,N-dimethyl-formamide for 0.5h; Microwave irradiation;	85%

: 111-83-1
1-bromo-octane

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

: 1204768-32-0
1,8-dihydroxy-6-methyl-3-octyloxyanthracene-9,10-dione

Conditions

Conditions	Yield
With sodium carbonate In N,N-dimethyl-formamide at 20 - 120℃; for 0.25h; Microwave irradiation;	84.1%
With potassium carbonate In N,N-dimethyl-formamide at 60 - 70℃; for 4h;

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

: 104-87-0
4-methyl-benzaldehyde

: 124-40-3
dimethyl amine

: 1431545-55-9
C25H23NO5

Conditions

Conditions	Yield
In 1,4-dioxane at 65℃; for 24h; Mannich Aminomethylation;	83%

...Expand

Emodin Chemical Properties

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

Emodin 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.

Emodin Consensus Reports

EPA Genetic Toxicology Program.

Emodin 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

Emodin 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.

Product Name

Emodin

Synthetic route

Emodin Chemical Properties

Emodin Toxicity Data With Reference

Emodin Consensus Reports

Emodin Safety Profile

Emodin Specification

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