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25168-24-5

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Basic Information
CAS No.: 25168-24-5
Name: DIBUTYL TIN BIS(ISOOCTYLTHIOGLYCOLATE)
Molecular Structure:
Molecular Structure of 25168-24-5 (DIBUTYL TIN BIS(ISOOCTYLTHIOGLYCOLATE))
Formula: C28H56O4S2Sn
Molecular Weight: 639.65
Synonyms: Acetic acid,2,2'-[(dibutylstannylene)bis(thio)]bis-, diisooctyl ester (9CI);Acetic acid,[(dibutylstannylene)dithio]di-, diisooctyl ester (6CI,8CI);Tin,dibutylbis[(carboxymethyl)thio]-, diisooctyl ester (7CI);Isooctyl alcohol,[(dibutylstannylene)dithio]diacetate (2:1) (8CI);BS 8T;BTS 70;BTS 8;Bis(isooctyloxycarbonylmethylthio)dibutyltin;Bis(isooctyloxycarbonylmethylthiolato)dibutyltin;Dibutylbis[[[(isooctyloxy)carbonyl]methyl]thio]tin;DibutyltinS,S'-bis(isooctyl mercaptoacetate);Dibutyltin bis(isooctyl mercaptoacetate);Dibutyltin-bis(isooctylthioglycolate);Diisooctyl [(dibutylstannylene)dithio]diacetate;Fomrez UL 6;Irgastab 17M;Mark 292;Nitto 1360;Ongrostab BS 8T;T 101;T 101(accelerator);TVS 1360;Thermolite 31;UL 6;
EINECS: 246-703-8
Density: 1,12 g/cm3
Melting Point: < 25 °C
Boiling Point: 585.4 °C at 760 mmHg
Flash Point: 307.8 °C
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
PSA: 103.20000
LogP: 8.72620
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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 0.1 mg(Sn)/m3 (skin)
ACGIH TLV: TWA 0.1 mg(Sn)/m3; STEL 0.2 mg(Sn)/m3 (skin).
NIOSH REL: (Organotin Compounds) TWA 0.1 mg(Sn)/m3

Analytical Methods

For occupational chemical analysis use NIOSH: Organotin Compounds, 5504.

Specification

The Bis(2-ethylhexyloxycarbonylmethylthio)dibutylstannane, with the CAS registry number 25168-24-5, is also known as Dibutylzinn-S,S'-bis(isooctylthioglycolat). Its EINECS registry number is 246-703-8. This chemical's molecular formula is C28H56O4S2Sn and molecular weight is 639.58. Its systematic name is called 6-methylheptyl 4,4-dibutyl-14-methyl-7-oxo-8-oxa-3,5-dithia-4-stannapentadecan-1-oate. This chemical's classification code is Organometallic.

Physical properties of Bis(2-ethylhexyloxycarbonylmethylthio)dibutylstannane: (1)ACD/LogP: 16.01; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 16.01; (4)ACD/LogD (pH 7.4): 16.01; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 26; (11)Flash Point: 307.8 °C; (12)Enthalpy of Vaporization: 87.45 kJ/mol; (13)Boiling Point: 585.4 °C at 760 mmHg; (14)Vapour Pressure: 1.09E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. 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=C(CS[Sn](SCC(=O)OCCCCCC(C)C)(CCCC)CCCC)OCCCCCC(C)C
(2)InChI: InChI=1/2C10H20O2S.2C4H9.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;2*1-3-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC28H56O4S2Sn/c1-7-9-21-35(22-10-8-2,33-23-27(29)31-19-15-11-13-17-25(3)4)34-24-28(30)32-20-16-12-14-18-26(5)6/h25-26H,7-24H2,1-6H3
(3)InChIKey: VNPRJHMMOKDEDZ-MJMFDESIAX

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 500mg/kg (500mg/kg)   Tin Research Institute, Publication. Vol. -, Pg. 1, 1973.