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Cas Database

Name	Ellagic acid	EINECS	207-508-3
CAS No.	476-66-4	Density	2.066 g/cm³
PSA	141.34000	LogP	1.31280
Solubility	<0.1 g/100 mL at 21 °C in water	Melting Point	≥350 °C
Formula	C₁₄H₆O₈	Boiling Point	796.5 °C at 760 mmHg
Molecular Weight	302.197	Flash Point	310.1 °C
Transport Information	N/A	Appearance	cream to light yellow crystalline solid
Safety	26-36-36/37	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	Alizarinyellow;Alizarine Yellow;Benzoaric acid;C.I. 55005;C.I. 75270;Elagostasine;	Article Data	105

Ellagic acid Synthetic route

: 84316-70-1
dimethyl 4,4',5,5',6,6'-hexahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylate

: 476-66-4
ellagic acid

Conditions

Conditions	Yield
In methanol; water for 24h; Reflux;	100%
In water at 100℃; for 0.25h;	0.03 g
In methanol; water at 85℃; for 4h;

: 2292-39-9, 124854-06-4, 133358-96-0
4,5,6,4',5',6'-hexamethoxydiphenic acid

: 476-66-4
ellagic acid

Conditions

Conditions	Yield
With boron tribromide In dichloromethane at -40 - 20℃; Inert atmosphere;	100%

: tannic acid

: 476-66-4
ellagic acid

Conditions

Conditions	Yield
With sulfuric acid In water at 100℃; under 3750.38 Torr;	89%

: 2,3,7-trihydroxy-8-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)chromeno[5,4,3-cde]chromene-5,10-dione

A: 3615-41-6
L-Rhamnose

B: 476-66-4
ellagic acid

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane at 80℃; for 1h;	A n/a B 86%

: 618-73-5
3,4,5-trihydroxybenzamide

: 476-66-4
ellagic acid

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid for 10h; Reagent/catalyst;	84%

: 99-24-1
methyl galloate

: 476-66-4
ellagic acid

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; bis-[(trifluoroacetoxy)iodo]benzene In dichloromethane at 20℃; for 24h; Inert atmosphere;	83%
With dipotassium peroxodisulfate In acetic acid at 80℃; for 12h;	78%
With iron(III) chloride; acetic acid

: 121-79-9
Propyl gallate

: 476-66-4
ellagic acid

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In sulfuric acid at 80℃; for 12h; Solvent; Reagent/catalyst;	82%

: ellagic acid 3-O-α-L-rhamnopyranosyl-4′-O-α-L-arabinofuranoside

A: 5328-37-0
L-arabinose

B: 3615-41-6
L-Rhamnose

C: 476-66-4
ellagic acid

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane at 80℃; for 1h;	A n/a B n/a C 77%

: 831-61-8
Ethyl gallate

: 476-66-4
ellagic acid

Conditions

Conditions	Yield
With sodium persulfate In acetic acid at 80℃; for 12h;	74%
With sodium carbonate
With ammonia; water durch Einleiten von Luft;
With Marshall's acid
Multi-step reaction with 2 steps 1: ammonium hydroxide / 12 h / 50 °C 2: 3-chloro-benzenecarboperoxoic acid / 10 h View Scheme

: 70470-10-9
1,2,3,4,6-Penta-O-galloyl-alpha-D-glucopyranose

: 476-66-4
ellagic acid

Conditions

Conditions	Yield
With sodium carbonate at 20 - 70℃; for 6h;	50%

Ellagic acid Chemical Properties

Product Name: Ellagic acid
Synonyms of Ellagic acid (CAS NO.476-66-4): 2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione ; 5-19-07-00108 (Beilstein Handbook Reference) ; Acide ellagique ; Acide ellagique [INN-French] ; Acido elagico ; Acido elagico [INN-Spanish] ; Acidum ellagicum ; Acidum ellagicum [INN-Latin] ; Alizarine Yellow ; BRN 0047549 ; Benzoaric acid ; C.I. 55005 ; C.I. 75270 ; CCRIS 774 Diphenic acid, 4,4',5,5',6,6'-hexahydroxy-, di-delta-lactone ; EINECS 207-508-3 ; Elagostasine ; Eleagic acid ; Ellagic acid ; Ellagic acid dihydrate ; Gallogen (VAN) ; Gallogen (astringent) ; HSDB 7574 ; Lagistase ; Llagic acid ; NSC 407286 ; NSC 656272 ; UNII-19YRN3ZS9P ; (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-
CAS NO: 476-66-4
Classification Code: Reproductive Effect
Molecular Formula of Ellagic acid (CAS NO.476-66-4): C₁₄H₆O₈
Molecular Weight: 302.1926
Molecular Structure:

Melting Point: ≥350 °C
Polar Surface Area: 89.52 Å²
Index of Refraction: 1.894
Molar Refractivity: 67.74 cm³
Molar Volume: 146.2 cm³
Surface Tension: 140.3 dyne/cm
Density of Ellagic acid (CAS NO.476-66-4): 2.066 g/cm³
Flash Point: 310.1 °C
Enthalpy of Vaporization: 119.86 kJ/mol
Boiling Point: 796.5 °C at 760 mmHg
Vapour Pressure: 2.32E-26 mmHg at 25°C

Ellagic acid Uses

Ellagic acid (CAS NO.476-66-4) can be used for medicine and cosmetics, and antioxidant with anti-cancer and inhibition virus role.

Ellagic acid Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	oral	> 20gm/kg (20000mg/kg)		Farmatsevtichnii Zhurnal Vol. 54(6), Pg. 90, 1999.
rat	LDLo	intraperitoneal	630mg/kg (630mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: ATAXIA	Farmatsevtichnii Zhurnal Vol. 54(6), Pg. 90, 1999.

Ellagic acid Safety Profile

Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Information for Ellagic acid (CAS NO.476-66-4)
Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37: Wear suitable protective clothing and gloves.
WGK Germany: 3
RTECS: DJ2620000
F: 8-10-23

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