Basic information
- CAS
3590-84-9- Standard SMILES
CCCCCCC[CH2][Sn]([CH2]CCCCCCC)([CH2]CCCCCCC)[CH2]CCCCCCC- InChIKey
JTGNPNLBCGBCMP-UHFFFAOYSA-N- Molecular formula
- C32H68Sn
- Average molar mass
- 571.6 g/mol
- Monoisotopic mass
- 572.434305
Overview
Tetra-n-octylstannane is an organotin compound. Tin is a chemical element with the symbol Sn and atomic number 50. It is a natural component of the earth's crust and is obtained chiefly from the mineral cassiterite, where it occurs as tin dioxide. (L307, L309)
Names & identifiers
- Preferred name
- Tetraoctyltin
- IUPAC
- tetraoctylstannane
- English name
- Tetraoctyltin
- Molecular formula
- C32H68Sn
- Molecular weight
- 571.59
Names & synonyms
TetraoctyltinTetraoctylstannaneStannane, tetraoctyl-Tetra-n-octylstannaneTin, tetraoctyl-EINECS 222-733-7UNII-6EWL1E4B0V6EWL1E4B0VNSC 65527BRN 3907209NSC-65527DTXSID3027538
Show more names
SKL1136TETRAOCTYLtetraoctyl-tiTIN TETRAOCTYLTetraoctylzinnTetraoctyltin(IV)etraoctylstannanetetraoctyl-stannan
EC 222-733-74-04-00-04314 (Beilstein Handbook Reference)RefChem:188825DTXCID807538222-733-7JTGNPNLBCGBCMP-UHFFFAOYSA-N3590-84-9Tetra-n-octyltin
Database identifiers
- CAS
3590-84-9- PubChem CID
- 77145
- DTXSID
DTXSID3027538- UNII
- 6EWL1E4B0V
- EC Number
- 222-733-7
- Nikkaji
- J135.428K
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 28
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 281
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 224 °C · 224°C 1mm
- Density
- 0 · 0,98 g/cm3
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.4677 · 1.4677
- Flash point
- 102 °C · 102°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform (Soluble), Ethyl Acetate (Sparingly)
- form
- Oil
- color
- Off-White to Yellow
- Specific Gravity
- 0.961 · 0.961
- Hydrolytic Sensitivity
- 1 · 1: no significant reaction with aqueous systems
- InChI
- 1S/4C8H17.Sn/c4*1-3-5-7-8-6-4-2;/h4*1,3-8H2,2H3;
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
Warning
H315 (64.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P308+P316, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 28 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Stannane, tetraoctyl-
Stannane, tetraoctyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Stannane, tetraoctyl- 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)
REACH registered substance: Tetraoctyltin (EC: 222-733-7)
Stannane, tetraoctyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Stannane, tetraoctyl-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (64.3%)
Toxicology
Health EffectsBreathing or swallowing, or skin contact with organotins, can interfere with the way the brain and nervous system work, causing death in severe cases. Organic tin compounds may also damage the immune and reproductive system. (L307, L308)
Chemistry & industry
Pharmacology
Metabolism/Metabolites
Though tin metal is very poorly absorbed, tin compounds may be absorbed via oral, inhalation, or dermal routes, with organotin compounds being much more readily absorbed than inorganic tin compounds. Tin may enter the bloodstream and bind to hemoglobin, where it is distributed and accumulates mainly in the kidney, liver, lung, and bone. Organotin compounds may undergo dealkylation, hydroxylation, dearylation, and oxidation catalyzed by cytochrome P-450 enzymes in the liver. The alkyl products of dealkylation are conjugated with glutathione and further metabolized to mercapturic acid derivatives. Tin and its metabolites are excreted mainly in the urine and feces. (L308)
Uses & manufacturing
U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Stannane, tetraoctyl-: ACTIVE
Applications
UsesTetraoctyltin was coupled to C-H bonds of 2-aryl- and 2-benzyl-substituted 4,4-dimethyl-2-oxazolines and pyridines to give the benzene ring-alkylated products in good yields by using 5 mol % Pd(OAc)2 as the catalyst.
Suppliers45 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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