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(3-Methoxypropyl)trimethoxysilane

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Name

(3-Methoxypropyl)trimethoxysilane

EINECS N/A
CAS No. 33580-59-5 Density 0.946 g/cm3
PSA 36.92000 LogP 0.90100
Solubility N/A Melting Point < 0 °C
Formula C7H18O4Si Boiling Point 168.1 °C at 760 mmHg
Molecular Weight 194.3 Flash Point 41.8 °C
Transport Information N/A Appearance N/A
Safety 16-23-36/37/39 Risk Codes 10-20/21/22
Molecular Structure Molecular Structure of 33580-59-5 (3-(METHOXY)PROPYLTRIMETHOXYSILANE) Hazard Symbols N/A
Synonyms

(3-Methoxypropyl)trimethoxysilane;Trimethoxy(3-methoxypropyl)silane;d-Methoxypropyltrimethoxysilane;trimethoxy(3-methoxypropyl)silane;silane, trimethoxy(3-methoxypropyl)-;Trimethoxy(3-methoxypropyl)silane;

 

(3-Methoxypropyl)trimethoxysilane Specification

The (3-Methoxypropyl)trimethoxysilane, with the CAS registry number 33580-59-5, has the systematic name and IUPAC name of trimethoxy(3-methoxypropyl)silane. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C7H18O4Si.

The characteristics of (3-Methoxypropyl)trimethoxysilane are as followings: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 0.36; (5)ACD/BCF (pH 5.5): 1.11; (6)ACD/BCF (pH 7.4): 1.11; (7)ACD/KOC (pH 5.5): 37.55; (8)ACD/KOC (pH 7.4): 37.55; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.403; (14)Molar Refractivity: 50.17 cm3; (15)Molar Volume: 205.2 cm3; (16)Polarizability: 19.89×10-24cm3; (17)Surface Tension: 22.7 dyne/cm; (18)Density: 0.946 g/cm3; (19)Flash Point: 41.8 °C; (20)Enthalpy of Vaporization: 38.8 kJ/mol; (21)Boiling Point: 168.1 °C at 760 mmHg; (22)Vapour Pressure: 2.17 mmHg at 25°C.

Preparation of (3-Methoxypropyl)trimethoxysilane: This chemical can be prepared by (3-chloro-propyl)-trimethoxy-silane and methanol; lithium salt. The reaction time is 0.5 hours with temperature of 190°C, and the yield is about 95%. 

You should be cautious while dealing with this chemical. It is a kind of flammale chemical which is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, gloves and eye/face protection; Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(C)[Si](OC)(OC)CCCOC
(2)InChI: InChI=1/C7H18O4Si/c1-8-6-5-7-12(9-2,10-3)11-4/h5-7H2,1-4H3
(3)InChIKey: JPMBLOQPQSYOMC-UHFFFAOYAQ

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg)   Doklady Akademii Nauk SSSR. Proceedings of the Academy of Sciences of the USSR. For English translation, see DBIOAM and DKBSAS. Vol. 229, Pg. 1011, 1976.

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