CAS No.7727-33-5,1,1,2,2-Tetrakis(4-hydroxyphenyl)ethane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	7727-33-5
Name:	1,1,2,2-Tetrakis(4-hydroxyphenyl)ethane

Formula:	C₂₆H₂₂O₄
Molecular Weight:	398.458
Synonyms:	Phenol,4,4',4'',4'''-ethanediylidenetetra- (6CI);1,1,2,2-Tetrakis(4-hydroxyphenyl)ethane;1,1,2,2-Tetrakis(p-hydroxyphenyl)ethane;NSC 310098;TEP;TEP-DF;Tekp-E;
EINECS:	231-782-3
Density:	1.309 g/cm³
Melting Point:	>250°C (dec.)
Boiling Point:	566.4 °C at 760 mmHg
Flash Point:	252.9 °C
Appearance:	off-white powder/Brown crystal
Hazard Symbols:	Xn
Risk Codes:	40
Safety:	36/37
PSA:	80.92000
LogP:	5.47300

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Specification

The 1,1,2,2-Tetrakis(4-hydroxyphenyl)ethane, with the cas registry number 7727-33-5, has the systematic name of 4,4',4'',4'''-ethane-1,1,2,2-tetrayltetraphenol. Its produt belongs to the category of Aromatics Compounds and Aromatics. And the molecular formula of the chemical is C₂₆H₂₂O₄.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.74; (4)ACD/LogD (pH 7.4): 4.73; (5)ACD/BCF (pH 5.5): 2342.45; (6)ACD/BCF (pH 7.4): 2317.79; (7)ACD/KOC (pH 5.5): 8986.48; (8)ACD/KOC (pH 7.4): 8891.88; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 36.92 Å²; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 116.61 cm³; (15)Molar Volume: 304.3 cm³; (16)Polarizability: 46.23×10^-24cm³; (17)Surface Tension: 64.3 dyne/cm; (18)Density: 1.309 g/cm³; (19)Flash Point: 252.9 °C; (20)Enthalpy of Vaporization: 88.21 kJ/mol; (21)Boiling Point: 566.4 °C at 760 mmHg; (22)Vapour Pressure: 1.97E-13 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause carcinogenic effect. Therefore, you had better wear suitable protective clothing and gloves when you contact with it.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1ccc(cc1)C(c2ccc(O)cc2)C(c3ccc(O)cc3)c4ccc(O)cc4
(2)InChI: InChI=1/C26H22O4/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16,25-30H
(3)InChIKey: HDPBBNNDDQOWPJ-UHFFFAOYAY