5,7,12-Trioxa-6-stannahexadeca-2,9-dienoic acid, 6,6-dioctyl-4,8,11-trioxo-, butyl ester, (Z,Z)-

Base Information

• Chemical Name: 5,7,12-Trioxa-6-stannahexadeca-2,9-dienoic acid, 6,6-dioctyl-4,8,11-trioxo-, butyl ester, (Z,Z)-
• CAS No.: 29575-02-8
• Deprecated CAS: 31718-66-8
• Molecular Formula: C32H56 O8 Sn
• Molecular Weight: 687.57
• European Community (EC) Number: 249-699-6
• UNII: C19NFS517T
• DSSTox Substance ID: DTXSID00586814
• Wikidata: Q27275058
• Mol file: 29575-02-8.mol

Synonyms:Di-n-octyltin dimonobutylmaleate;Di-n-octyltin bis(butyl maleate);Dioctyltin bis(butyl maleate);Stannane, dioctylbis(monobutoxymaleoyloxy)-;C19NFS517T;29575-02-8;5,7,12-Trioxa-6-stannahexadeca-2,9-dienoic acid, 6,6-dioctyl-4,8,11-trioxo-, butyl ester, (Z,Z)-;2-Butenedioic acid (2Z)-, 1,1'-(dioctylstannylene) 4,4'-dibutyl ester;EINECS 249-699-6;UNII-C19NFS517T;Di-n-octylzinn-dimonobutylmaleinat [German];Di-n-octylzinn-dimonobutylmaleinat;Stannane, bis(butoxymaleoyloxy)dioctyl-;Butyl 6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dienoate;DTXSID00586814;DIOCTYLTINBIS(BUTYL MALEATE);Q27275058;Butyl (2Z,9Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dien-1-oate;STANNANE, BIS((3-CARBOXYACRYLOYL)OXY)DIOCTYL-, DIBUTYL ESTER, (Z,Z)-

Chemical Property of 5,7,12-Trioxa-6-stannahexadeca-2,9-dienoic acid, 6,6-dioctyl-4,8,11-trioxo-, butyl ester, (Z,Z)-

Chemical Property:

• Vapor Pressure: 1.67E-15mmHg at 25°C
• Boiling Point: 624.3°C at 760 mmHg
• Flash Point: 331.3°C
• PSA: 132.86000
• LogP: 5.25280
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 30
• Exact Mass: 688.299721
• Heavy Atom Count: 41
• Complexity: 714

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion. TWA 0.1 mg(Sn)/m³; STEL 0.2 mg(Sn)/m³ (skin).
• Hazard Codes: Moderately toxic by ingestion. TWA 0.1 mg(Sn)/m3; STEL 0.2 mg(Sn)/m3 (skin).

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCCCC)OC(=O)C=CC(=O)OCCCC
• Isomeric SMILES: CCCCCCCC[Sn](OC(=O)/C=C\C(=O)OCCCC)(OC(=O)/C=C\C(=O)OCCCC)CCCCCCCC

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