Analytical Methods:
For occupational chemical analysis use NIOSH: Organotin Compounds 5504.
Empirical Formula of Di-n-octyltin 1,4-butanediol-bis-mercaptoacetate (CAS NO.69226-46-6): C24H46O4S2Sn
Molecular Weight: 581.4596
Structure of Di-n-octyltin 1,4-butanediol-bis-mercaptoacetate (CAS NO.69226-46-6):
IUPAC Name: 4,4-Dioctyl-8,13-dioxa-3,5-dithia-4-stannacyclotridecane-1,7-dione
Canonical SMILES: CCCCCCCC[Sn]1(SCC(=O)OCCCCOC(=O)CS1)CCCCCCCC
InChI: InChI=1S/C8H14O4S2.2C8H17.Sn/c9-7(5-13)11-3-1-2-4-12-8(10)6-14;2*1-3-5-7-8-6-4-2;/h13-14H,1-6H2;2*1,3-8H2,2H3;/q;;;+2/p-2
InChIKey: BWEUIUUOUFUGLN-UHFFFAOYSA-L
1. | orl-rat LD50:2950 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 19 (1969),934. |
Moderately toxic by ingestion. When heated to decomposition Di-n-octyltin 1,4-butanediol-bis-mercaptoacetate (CAS NO.69226-46-6) emits toxic fumes of SOx. See also TIN COMPOUNDS and MERCAPTANS.
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.
Di-n-octyltin 1,4-butanediol-bis-mercaptoacetate , its cas register number is 69226-46-6. It also can be called Stannane, dioctyl(1,4-tetramethylenedioxybis(carbonylmethylthio))- ; 1,9-Dioxa-4,6-dithia-5-stannacyclotridecane-2,8-dione, 5,5-dioctyl- ; and Di-n-octyl-zinn-1,4-butandiol-bis-mercaptoacetat .
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