Dodecyltin tris(isooctyl thioglycolate)
Basic information
- CAS
67649-65-4- Standard SMILES
CCCCCCCCCCC[CH2][Sn]([S]CC(=O)OCCCCCC(C)C)([S]CC(=O)OCCCCCC(C)C)[S]CC(=O)OCCCCCC(C)C- InChIKey
BRTAUCXEBFNCRH-UHFFFAOYSA-K- Molecular formula
- C42H82O6S3Sn
- Average molar mass
- 898 g/mol
- Monoisotopic mass
- 898.429556
Names & identifiers
- Preferred name
- Dodecyltin tris(isooctyl thioglycolate)
- IUPAC
- 6-methylheptyl 2-[dodecyl-bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]stannyl]sulfanylacetate
- English name
- triisooctyl 2,2',2''-[(dodecylstannylidyne)tris(thio)]triacetate
- Molecular formula
- C42H82O6S3Sn
- Molecular weight
- 898.00188
Names & synonyms
Dodecyltin tris(isooctyl thioglycolate)EINECS 266-836-5UNII-O05471451FTriisooctyl 2,2',2''-((dodecylstannylidyne)tris(thio))triacetateO05471451FDTXSID70217961Triisooctyl 2,2',2''-[(dodecylstannylidyne)tris(thio)]triacetateACETIC ACID, 2,2',2''-((DODECYLSTANNYLIDYNE)TRIS(THIO))TRIS-, TRIISOOCTYL ESTERACETIC ACID, 2,2',2''-((DODECYLSTANNYLIDYNE)TRIS(THIO))TRIS-, 1,1',1''-TRIISOOCTYL ESTERAcetic acid, 2,2',2''-[(dodecylstannylidyne)tris(thio)]tris-, 1,1',1''-triisooctyl esterRefChem:200721DTXCID20140452
Show more names
MONO-N-DODECYLTINTRIS(ISOOCTYLMERCAPTOACETATE)Monododecylzinntris-(thioglycolsureisooctylester)
67649-65-4Tris(6-methylheptyl) 2,2',2''-((Dodecylstannanetriyl)tris(sulfanediyl))triacetateNS00112990Q27285148TRIISOOCTYL 2,2',2''- ((DODECYLSTANNYLIDYNE)TRIS(THIO))TRIACETATE6-Methylheptyl 4-dodecyl-14-methyl-4-({2-[(6-methylheptyl)oxy]-2-oxoethyl}sulfanyl)-7-oxo-8-oxa-3,5-dithia-4-stannapentadecan-1-oate
Database identifiers
- CAS
67649-65-4- PubChem CID
- 171850
- DTXSID
DTXSID70217961- UNII
- O05471451F
- EC Number
- 266-836-5
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 41
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 769
Experimental & physicochemical properties
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Indirect Additives used in Food Contact Substances
- N-DODECYLTIN S,S',S''-TRIS(ISOOCTYLMERCAPTOACETATE)
- FDA 21 CFR
- 178.265 · 178.2650
- FDA UNII
- 5471451 F · O05471451F
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
Regulatory InformationChemical: Acetic acid, 2,2',2''-[(dodecylstannylidyne)tris(thio)]tris-, triisooctyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Applications
UsesTris(6-methylheptyl) 2,2',2''-((Dodecylstannanetriyl)tris(sulfanediyl))triacetate can be useful in the study of heat stabilizers for vinyl chloride homo- and copolymers for use in contact with food.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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