Basic information
- CAS
28801-69-6- Standard SMILES
CC(C)(C)CCCCCC(=O)[O-].[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Sn+4]- InChIKey
VPGCPASKYRNEBB-UHFFFAOYSA-M- Molecular formula
- C22H46O2Sn
- Average molar mass
- 461.3 g/mol
- Monoisotopic mass
- 462.251983
Names & identifiers
- Preferred name
- Tributyltin neodecanoate
- IUPAC
- butane;7,7-dimethyloctanoate;tin(4+)
Names & synonyms
Carban T-10Caswell No. 867GTin, tributyl-, neodecanoateStannane, (neodecanoyloxy)tributyl-Stannane, tributyl(neodecanoyloxy)-EINECS 249-232-6FXB3RZ1W2FEPA Pesticide Chemical Code 083111Hydroxytributylstannane 4,4-dimethyloctanoateStannane, (4,4-dimethyloctanoyloxy)tributyl-Octanoic acid, 4,4-dimethyl-, tributylstannyl esterCarban T10
Show more names
RefChem:899153Tin, tributyl, neodecanoateDTXCID1020350Stannane, (neodecanoyloxy)tributylStannane, tributyl(neodecanoyloxy)Stannane, tributyl((1oxoneodecyl)oxy)Stannane, (4,4dimethyloctanoyloxy)tributylHydroxytributylstannane 4,4dimethyloctanoate
Database identifiers
- CAS
28801-69-6- PubChem CID
- 62837
- EC Number
- 249-232-6
Properties
Computed structural properties
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
Chemical ClassesMetals -> Tin Compounds, Organic
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - Stannane, tributyl[(1-oxoneodecyl)oxy]-: Environment tier I assessment
Hazards SummarySee Tributyltin maleate.
Safety & protection
Exposure Control and Personal Protection0.02 [mg/m3], inhalable fraction, as Sn[German Research Foundation (DFG)]
Threshold Limit Values (TLV)
0.1 [mg/m3], as Sn
0.2 [mg/m3], as Sn
Permissible Exposure Limit (PEL)0.1 [mg/m3], as Sn
Immediately Dangerous to Life or Health (IDLH)25.0 [mg/m3], as Sn
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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