Reported in EPA TSCA Inventory.
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
For occupational chemical analysis use NIOSH: Organotin Compounds, 5504.
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. |
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