Ellagic acid hydrate supplier | CasNO.314041-08-2

Name
ELLAGIC ACID HYDRATE TECH.
EINECS 207-508-3
CAS No. 314041-08-2
Density
Solubility
Melting Point >300 °C(lit.)
Formula C₁₄H₆O₈^.H₂O
Boiling Point 871.2 °C at 760 mmHg
Molecular Weight 320.21
Flash Point 480.7 °C
Transport Information
Appearance green to beige powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione hydrate;[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-, hydrate (1:1);Ellagic acid hydrate;
PSA 159.80000
LogP 1.18420

Ellagic acid hydrate Specification

The Ellagic acid hydrate, with the CAS registry number 314041-08-2 and EINECS registry number 207-508-3, has the systematic name of 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione hydrate. It is a kind of green to beige powder, and belongs to the following product categories: Alcohols; Monomers; Polymer Science. And the molecular formula of the chemical is C₁₄H₆O₈^.H₂O.

The characteristics of Ellagic acid hydrate are as followings: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.59; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 9; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 98.75 Å²; (10)Flash Point: 480.7 °C; (11)Enthalpy of Vaporization: 132.65 kJ/mol; (12)Boiling Point: 871.2 °C at 760 mmHg; (13)Vapour Pressure: 1.98E-32 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1Oc3c2c4c1cc(O)c(O)c4OC(=O)c2cc(O)c3O.O
(2)InChI: InChI=1/C14H6O8.H2O/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19;/h1-2,15-18H;1H2
(3)InChIKey: UOZZJRXBNGVIKO-UHFFFAOYAJ

Product Name

ELLAGIC ACID HYDRATE TECH.

Ellagic acid hydrate Specification

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