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33204-76-1

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Basic Information
CAS No.: 33204-76-1
Name: quadrosilan
Molecular Structure:
Molecular Structure of 33204-76-1 (quadrosilan)
Formula: C18H28 O4 Si4
Molecular Weight: 420.82
Synonyms: 2,6-cis-Diphenylhexamethylcyclotetrasiloxane;Cisobitan; KABI 1774; Quadrosilan; cis-2,6-Diphenylhexamethylcyclotetrasiloxane
EINECS: 251-406-1
Density: 1.06 g/cm3
Melting Point: 41ºC
Boiling Point: 353.9 ºC at 760 mmHg
Flash Point: 146 ºC
PSA: 36.92000
LogP: 3.42840
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Chemistry

Molecular Structure of Cisobitan (CAS NO. 33204-76-1):

EINECS: 251-406-1
IUPAC Name: 2,2,4,6,6,8-Hexamethyl-4,8-diphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
Molecular Formula: C18H28O4Si4
Molecular Weight: 420.754520 g/mol
H-Bond Donor: 0
H-Bond Acceptor: 4
Canonical SMILES: C[Si]1(O[Si](O[Si](O[Si](O1)(C)C2=CC=CC=C2)(C)C)(C)C3=CC=CC=C3)C
InChI: InChI=1S/C18H28O4Si4/c1-23(2)19-25(5,17-13-9-7-10-14-17)21-24(3,4)22-26(6,20-23)18-15-11-8-12-16-18/h7-16H,1-6H3
InChIKey: ZTQZMPQJXABFNC-UHFFFAOYSA-N
Index of Refraction: 1.513
Molar Refractivity: 119.19 cm3
Molar Volume: 396.1 cm3
Surface Tension: 27.8 dyne/cm
Density: 1.06 g/cm3
Flash Point: 146 °C
Enthalpy of Vaporization: 57.52 kJ/mol
Boiling Point: 353.9 °C at 760 mmHg
Vapour Pressure: 7.1E-05 mmHg at 25 °C
Water Solubility of Cisobitan (CAS NO. 33204-76-1): 8.301e-005 mg/L at 25 °C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   Acta Pharmacologica et Toxicologica, Supplementun. Vol. 36(3), Pg. 93, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Acta Pharmacologica et Toxicologica, Supplementun. Vol. 36(3), Pg. 93, 1975.

Safety Profile

Experimental reproductive effects. When heated to decomposition it emits acrid smoke and fumes.

Specification

  Cisobitan with cas registry number of 33204-76-1 is also knowns as 2,6-cis-Diphenylhexamethylcyclotetrasiloxane ; Cyclic 2,6-cis-diphenylhexamethylcyclotetrasiloxane ; Cyclotetrasiloxane, 2,2,4,6,6,8-hexamethyl-4,8-diphenyl-, cis- ; Cyclotetrasiloxane, 2,6-diphenylhexamethyl-, Z- ; Cyclotetrasiloxane, 2,6-diphenyl-2,4,4,6,8,8-hexamethyl-, (Z)- ; KABI 1774 ; Quadrosilan [INN:BAN] ; Quadrosilan ; Quadrosilane ; Quadrosilane [INN-French] ; Quadrosilanum ; Quadrosilanum [INN-Latin] ; UNII-C5KT601WPM ; cis-2,6-Diphenyl-2,4,4,6,8,8-hexamethylcyclotetrasiloxane ; cis-2,2,4,6,6,8-Hexamethyl-4,8-diphenylcyclotetrasiloxane .