Basic information
- CAS
59118-79-5- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC[S][Sn]([CH3])([S]CCOC(=O)CCCCCCC/C=C\CCCCCCCC)[S]CCOC(=O)CCCCCCC/C=C\CCCCCCCC- InChIKey
ORBWXKGSLBJLGS-BQGNPDQISA-K- Molecular formula
- C61H114O6S3Sn
- Average molar mass
- 1,158.5 g/mol
- Monoisotopic mass
- 1,158.679957
Names & identifiers
- Preferred name
- 9-Octadecenoic acid (9Z)-, 1,1',1''-[(methylstannylidyne)tris(thio-2,1-ethanediyl)] ester
- IUPAC
- 2-[methyl-bis[2-[(Z)-octadec-9-enoyl]oxyethylsulfanyl]stannyl]sulfanylethyl (Z)-octadec-9-enoate
Names & synonyms
59118-79-5EINECS 261-610-2(Methylstannylidyne)tris(thioethylene) trioleateMethyltin tris(2-mercaptoethyl oleate)DTXSID30693089-Octadecenoic acid (9Z)-, (methylstannylidyne)tris(thio-2,1-ethanediyl) ester9-Octadecenoic acid (9Z)-, 1,1',1''-((methylstannylidyne)tris(thio-2,1-ethanediyl)) ester9-Octadecenoic acid (9Z)-, 1,1',1''-[(methylstannylidyne)tris(thio-2,1-ethanediyl)] esterRefChem:549556DTXCID001475193261-610-2(9'Z,9''Z)-((Methylstannanetriyl)tris(sulfanediyl))tris(ethane-2,1-diyl) trioleate
Show more names
(Methylstannanetriyl)tris(sulfanediylethane-2,1-diyl) tri[(9Z)-octadec-9-enoate]
Database identifiers
- CAS
59118-79-5- PubChem CID
- 6436670
- DTXSID
DTXSID3069308- EC Number
- 261-610-2
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 60
- Heavy atoms
- 71
- Formal charge
- 0
- Complexity
- 1,100
Experimental & physicochemical properties
Physical DescriptionLiquid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (98.2%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
9-Octadecenoic acid (9Z)-, 1,1',1''-[(methylstannylidyne)tris(thio-2,1-ethanediyl)] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenoic acid (9Z)-, 1,1',1''-[(methylstannylidyne)tris(thio-2,1-ethanediyl)] ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Monomethyltin tris(2-mercapotethyl oleate): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAquatic Chronic 4 (98.2%)
Chemistry & industry
Uses & manufacturing
U.S. Production2022: 71,429 lb
General Manufacturing Information9-Octadecenoic acid (9Z)-, 1,1',1''-[(methylstannylidyne)tris(thio-2,1-ethanediyl)] ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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