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2895-07-0

Basic Information
CAS No.: 2895-07-0
Name: 1,1,1,3,3,5,5-HEPTAMETHYLTRISILOXANE
Article Data: 4
Molecular Structure:
Molecular Structure of 2895-07-0 (1,1,1,3,3,5,5-HEPTAMETHYLTRISILOXANE)
Formula: C7H22O2Si3
Molecular Weight: 222.507
Synonyms: 1,1,1,3,3,5,5-Heptamethyltrisiloxane;Heptamethyltrisiloxane;
EINECS: 220-774-5
Density: 0.82
Boiling Point: 163.8 °C at 760 mmHg
Flash Point: 52.8 °C
Risk Codes: 10-36/37/38
Safety: 16-33-36/37/39
PSA: 18.46000
LogP: 2.53970
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Specification

The Trisiloxane,1,1,1,3,3,5,5-heptamethyl-, with the CAS registry number 2895-07-0, is also known as Heptamethyltrisiloxane. Its EINECS registry number is 220-774-5. This chemical's molecular formula is C7H22O2Si3 and molecular weight is 222.5. Its IUPAC name is called 1,1,1,3,3,5,5-heptamethyltrisiloxane.

Physical properties of Trisiloxane,1,1,1,3,3,5,5-heptamethyl-: (1)ACD/LogP: 5.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.32; (4)ACD/LogD (pH 7.4): 5.32; (5)ACD/BCF (pH 5.5): 6517.53; (6)ACD/BCF (pH 7.4): 6517.53; (7)ACD/KOC (pH 5.5): 18694.43; (8)ACD/KOC (pH 7.4): 18694.43; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 4; (11)Flash Point: 52.8 °C; (12)Enthalpy of Vaporization: 38.38 kJ/mol; (13)Boiling Point: 163.8 °C at 760 mmHg; (14)Vapour Pressure: 2.66 mmHg at 25°C.

Uses of Trisiloxane,1,1,1,3,3,5,5-heptamethyl-: it can be used to produce 11-(1,1,1,3,3,5,5-hetamethyltrisiloxanyl)undecanol at temperature of 60 °C. This reaction will need reagent dicyclopentadienylplatinium(II) chloride and solvent tetrahydrofuran with reaction time of 24 hours. The yield is about 97%.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. It is irritating to eyes, respiratory system and skin. You should keep it away from sources of ignition - No smoking. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O([Si](C)(C)C)[Si](O[SiH](C)C)(C)C
(2)InChI: InChI=1/C7H22O2Si3/c1-10(2)8-12(6,7)9-11(3,4)5/h10H,1-7H3
(3)InChIKey: MWYMHZINPCTWSB-UHFFFAOYAX