Tributyltin (2-ethylhexanoate)
Basic information
- CAS
5035-67-6- Standard SMILES
CCCCC(CC)C(=O)[O-].CCC[CH2][Sn+]([CH2]CCC)[CH2]CCC- InChIKey
NJBLMKDJCMZEJZ-UHFFFAOYSA-M- Molecular formula
- C20H42O2Sn
- Average molar mass
- 433.3 g/mol
- Monoisotopic mass
- 434.220683
Overview
See also: Stannane, ((2-ethylhexanoyl)oxy)tributyl (preferred).
Names & identifiers
- Preferred name
- Tributyltin (2-ethylhexanoate)
- IUPAC
- 2-ethylhexanoate;tributylstannanylium
- English name
- tributyl[(2-ethylhexanoyl)oxy]stannane
- Molecular formula
- C20H42O2Sn
- Molecular weight
- 433.25628
Names & synonyms
SCHEMBL150566Tributyltin (2-ethylhexanoate)NJBLMKDJCMZEJZ-UHFFFAOYSA-MNsc 80691Einecs 225-726-7Tributyltin 2-ethylcaproateTRIBUTYLTIN 2-ETHYLHEXANOATEtributylstannyl 2-ethylhexanoatetributyl[(2-ethylhexanoyl)oxy]stannaneStannane, ((2-ethylhexanoyl)oxy)tributylTributyl[(2-ethyl-1-oxohexyl)oxy]stannaneTin, tributyl((2-ethylhexanoyl)oxy)- (7ci)
Database identifiers
- CAS
5035-67-6- PubChem CID
- 11626200
Properties
Computed structural properties
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 270 °C · 270°C (estimate)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 8 · GHS08,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H312-H301-H410-H319-H372
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P260-P264-P270-P314-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09,GHS06
- Hazard statements
- H315-H312-H301-H410-H319-H372
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P260-P264-P270-P314-P501
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Related reactions
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Compound notes
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