Basic information
- CAS
25852-70-4- Standard SMILES
CCCCCCC(C)OC(=O)C[S][Sn]([CH2]CCC)([S]CC(=O)OC(C)CCCCCC)[S]CC(=O)OC(C)CCCCCC- InChIKey
BRMYOHUXFCDIHF-UHFFFAOYSA-K- Molecular formula
- C34H66O6S3Sn
- Average molar mass
- 785.8 g/mol
- Monoisotopic mass
- 786.304356
Overview
Butyltin-tris(isooctylmercapto acetate) is a clear yellow liquid. (NTP, 1992)
Names & identifiers
- Preferred name
- Butyltin tris(isooctylmercaptoacetate)
- IUPAC
- octan-2-yl 2-[butyl-bis[(2-octan-2-yloxy-2-oxoethyl)sulfanyl]stannyl]sulfanylacetate
Names & synonyms
Butyltin tris(isooctyl mercaptoacetate)25852-70-4Butyltin tris(isooctylmercaptoacetate)CCRIS 4592EINECS 247-295-4UNII-I1RYR6E5J7Tin, butyl-, tris(isooctylthioglycollate)Stannane, butyltris(carboisooctoxymethylthio)-Stannane, n-butyltris(carboisooctoxymethylthio)-Stannane, butyltris(isooctyloxycarbonylmethylthio)-Butyltris(2-ethylhexyloxycarbonylmethylthio)stannaneStannane, butyltris((carboxymethyl)thio)-, triisooctyl ester
Show more names
RefChem:200018DTXSID6024703octan-2-yl 2-[butyl-bis[(2-octan-2-yloxy-2-oxoethyl)sulfanyl]stannyl]sulfanylacetate
Database identifiers
- CAS
25852-70-4- PubChem CID
- 33185
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 33
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 653
Experimental & physicochemical properties
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Physical DescriptionButyltin-tris(isooctylmercapto acetate) is a clear yellow liquid. (NTP, 1992)
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
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationChemical: Acetic acid, 2,2',2''-[(butylstannylidyne)tris(thio)]tris-,triisooctyl ester
Other Safety InformationIMAP assessments - Monobutyltin alkyl mercaptoacetates: Human health tier II assessment
Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Skin contact may cause irritation or rashes.
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity AlertsAir-Reactive
Reactivity Profile
An organometallic. Strongly reactive with many other groups. Incompatible with acids and bases. Organometallics are good reducing agents and therefore incompatible with oxidizing agents. Often reactive with water to generate toxic or flammable gases.
Air and Water ReactionsSensitive to air. (NTP, 1992). Insoluble in water.
Hazard Classes and Categories
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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