Basic information
- CAS
23850-94-4- Standard SMILES
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCC[CH2][Sn+3]- InChIKey
GVKORIDPEBYOFR-UHFFFAOYSA-K- Molecular formula
- C28H54O6Sn
- Average molar mass
- 605.4 g/mol
Overview
See other relationships...
Names & identifiers
- Preferred name
- Butyltin tris-(2-ethylhexanoate)
- IUPAC
- butyltin(3+);tris(2-ethylhexanoate)
- English name
- Butyltin tris(2-ethylhexanoate)
- Molecular formula
- C28H54O6Sn
- Molecular weight
- 605.43
Names & synonyms
butyltin tris-(2-ethylhexanoate)SCHEMBL176275GVKORIDPEBYOFR-UHFFFAOYSA-KDB-369915E75890fascat4102fascat9201FASCAT 9102TIB KAT 220Tributyltin IsobutyrateDerivative of monobutyltinButyltrisethylhexanoatetin
Show more names
Butyltintris(2-ethylhexoate)Butyltin tris-2-ethylexanoateBUTYLTIN TRIS(2-ETHYLHEXANOATE)
Database identifiers
- CAS
23850-94-4- PubChem CID
- 21881400
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Melting point
- -33 °C · -33°C
- Boiling point
- 544.8 · 544.8±33.0 °C(Predicted)
- Density
- 1.105 g/mL · 1.105 g/mL at 25 °C(lit.)
- vapor pressure
- 0.47 Pa · 0.47Pa at 25℃
- refractive index
- 20 · n20/D 1.465(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 34.386 g/L · 34.386g/L in organic solvents at 20 ℃
- Specific Gravity
- 1.105 · 1.105
- Water Solubility
- 152 μg/L · 152μg/L at 20℃
- InChI
- InChI=1S/3C8H16O2.C4H9.Sn/c3*1-3-5-6-7(4-2)8(9)10;1-3-4-2;/h3*7H,3-6H2,1-2H3,(H,9,10);1,3-4H2,2H3;/q;;;;+3/p-3
- InChIKey
- GVKORIDPEBYOFR-UHFFFAOYSA-K
- SMILES
- [Sn](OC(=O)C(CC)CCCC)(OC(=O)C(CC)CCCC)(OC(=O)C(CC)CCCC)CCCC
- LogP
- 2.55 at · 2.55 at 20℃
- Indirect Additives used in Food Contact Substances
Safety & regulation
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- WH6788500
- ridadr
- UN 2788 6.1/PG 3
- risk_code
- 23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- T
- safety_code
- 26-28-36/37/39-45
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H314
- REACH Registrations
- Active
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Applications
UsesEsterification catalyst
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州久锡化工有限公司0571-87225286 18966162194 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
1 records
Compound notes
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