Stannane,dioctylbis[(1-oxododecyl)oxy]- (3648-18-8)

Identification

Name:

Stannane,dioctylbis[(1-oxododecyl)oxy]-

Synonyms:

Dioctyltindilaurate (6CI);Stannane, bis(lauroyloxy)dioctyl- (8CI);Tin,bis(lauroyloxy)dioctyl- (7CI);Lauric acid, dioctylstannylene deriv. (8CI);Di-n-octyltin dilaurate;Dioctyldi(lauroyloxy)tin;Dioctyltin didodecanoate;Dioctytin dilaurate;KS 1200A1;Neostann U 810;

CAS:

3648-18-8

EINECS:

222-883-3

Molecular Formula:

C₄₀H₈₀O₄Sn

Molecular Weight:

743.77

InChI:

InChI=1/2C12H24O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC40H80O4Sn/c1-5-9-13-17-21-23-25-27-31-35-39(41)43-45(37-33-29-19-15-11-7-3,38-34-30-20-16-12-8-4)44-40(42)36-32-28-26-24-22-18-14-10-6-2/h5-38H2,1-4H3

Molecular Structure:

(C40H80O4Sn) Dioctyltindilaurate (6CI);Stannane, bis(lauroyloxy)dioctyl- (8CI);Tin,bis(lauroyloxy)dioctyl- (7CI);...

Properties

Boiling Point:

°Cat760mmHg

Density:

0,998 g/cm³

Specification:

The Dioctyldi(lauroyloxy)stannane , with cas registry number of 3648-18-8, Bis(lauroyloxy)dioctylstannane ; Di-n-octyl-zinn dilaurat ; Stannane, dioctyldi(lauroyloxy)- . It belongs to the classification codes of organometallic. Both its IUPAC name and the systematic name is called [dodecanoyloxy(dioctyl)stannyl] dodecanoate .

Physical properties of Dioctyldi(lauroyloxy)stannane are: (1) ACD/LogP: 21.69 ; (2) # of Rule of 5 Violations: 2 ; (3) ACD/LogD (pH 5.5): 21.69 ; (4) ACD/LogD (pH 7.4): 21.69 ; (5) #H bond acceptors: 4 #H bond donors: 0 ; (6) #Freely Rotating Bonds: 38 ; (7) Flash Point: 345.4 °C ; (8) Enthalpy of Vaporization: 95.48 kJ/mol ; (9) Boiling Point: 647.5 °C at 760 mmHg ; (10) Vapour Pressure: 1.18E-16 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is a poison by intraperitoneal route and mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. It is harmful by inhalation, in contact with skin and if swallowed. Wear suitable protective clothing, gloves and eye/face protection before use it. Do not breathe vapour.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(O[Sn](CCCCCCCC)(OC(=O)CCCCCCCCCCC)CCCCCCCC)CCCCCCCCCCC;
(2) InChI:InChI=1/2C12H24O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC40H80O4Sn/c1-5-9-13-17-21-23-25-27-31-35-39(41)43-45(37-33-29-19-15-11-7-3,38-34-30-20-16-12-8-4)44-40(42)36-32-28-26-24-22-18-14-10-6-2/h5-38H2,1-4H3;
(3) InChIKey:XQBCVRSTVUHIGH-HSCWTMRRAV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	95mg/kg (95mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 934, 1969.
rat	LD50	oral	6450mg/kg (6450mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 934, 1969.

Report:

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	95mg/kg (95mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 934, 1969.
rat	LD50	oral	6450mg/kg (6450mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 934, 1969.

Safety Data

Stannane,dioctylbis[(1-oxododecyl)oxy]- (3648-18-8)

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