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69239-37-8

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Basic Information
CAS No.: 69239-37-8
Name: nonyl (Z,Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate
Molecular Structure:
Molecular Structure of 69239-37-8 (nonyl (Z,Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate)
Formula: C42H76 O8 Sn
Molecular Weight: 827.87
Synonyms: nonyl (Z,Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate
Hazard Symbols: A poison by ingestion. TWA 0.1 mg(Sn)/m3; STEL 0.2 mg(Sn)/m3 (skin).
Safety: Poison by ingestion. See also TIN COMPOUNDS. When heated to decomposition it emits acrid smoke and irritating fumes.

Analytical Methods:

   

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

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Chemistry

Empirical Formula of Di-n-butyltin di(monononyl)maleate (CAS NO.69239-37-8): C42H76O8Sn
Molecular Weight: 829.7739
Structure of Di-n-butyltin di(monononyl)maleate (CAS NO.69239-37-8):
                         
IUPAC Name: 1-O-[[(Z)-4-Nonoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 4-O-nonyl(Z)-but-2-enedioate
Canonical SMILES: CCCCCCCCCOC(=O)C=CC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)C=CC(=O)OCCCCCCCCC
Isomeric SMILES: CCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCC)(CCCCCCCC)CCCCCCCC
InChI: InChI=1S/2C13H22O4.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-11-17-13(16)10-9-12(14)15;2*1-3-5-7-8-6-4-2;/h2*9-10H,2-8,11H2,1H3,(H,14,15);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*10-9-;;;
InChIKey: MNJFGAMANIHORO-BGSQTJHASA-L

Toxicity Data With Reference

1.    

orl-rat LD50:170 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 19 (1969),934.

Safety Profile

Poison by ingestion. See also TIN COMPOUNDS. When heated to decomposition Di-n-butyltin di(monononyl)maleate (CAS NO.69239-37-8) emits acrid smoke and irritating fumes.

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

 Di-n-butyltin di(monononyl)maleate , its cas register number is 69239-37-8. It also can be called Di-n-butyl-zinn-di(monononyl)maleinat ; Stannane, dioctylbis(nonyloxymaleoyloxy)- ; and Nonyl (Z,Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate .