Dibutylbis(pentane-2,4-dionato-O,O')tin
Basic information
- CAS
22673-19-4- Standard SMILES
CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[CH2-]CCCC.[CH2-]CCCC.[Sn+4]- InChIKey
UQFXPYKWVFOQTH-VGKOASNMSA-L- Molecular formula
- C20H36O4Sn
- Average molar mass
- 459.2 g/mol
- Monoisotopic mass
- 460.163562
Names & identifiers
- Preferred name
- Dibutylbis(pentane-2,4-dionato-O,O')tin
- IUPAC
- bis((Z)-4-oxopent-2-en-2-olate);bis(pentane);tin(4+)
- English name
- Dibutyltin bis(2,4-pentanedionate)
- Molecular formula
- C18H32O4Sn
- Molecular weight
- 431.15
Names & synonyms
Dibutylbis(pentane-2,4-dionato-O,O')tin(Z)-4-oxopent-2-en-2-olate;pentane;tin(4+)EINECS 245-152-0SCHEMBL40071190UQFXPYKWVFOQTH-VGKOASNMSA-LTin, dibutylbis(2,4-pentanedionato-O,O')-, (OC-6-11)-EC 245-152-0DIBUTYLTIN BIS(ACETYLACETONATE)DIBUTYLTIN BISDBTKsn(acac)bu2Dibutyltin diacetylacetonate
Show more names
Dibutyltin duplex (acetylacetone)DI-N-BUTYLTIN BIS(ACETYLACETONATE)Dibutyltin bis(2,4-pentanedionate)Bis-(2,4-pentanedionato)-dibutyltin
Database identifiers
- CAS
22673-19-4- PubChem CID
- 5484047
- EC Number
- 245-152-0
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 99.9
Physicochemical properties
- Melting point
- 26 °C · 26 °C (lit.)
- Boiling point
- 150 °C · 150 °C (lit.)
- Density
- 1.22 g/mL · 1.22 g/mL at 25 °C (lit.)
- vapor pressure
- 0.038 Pa · 0.038Pa at 25℃
- refractive index
- 20 · n 20/D 1.5110 (lit.)
- Flash point
- 54.44 °C · 54.44 °C - closed cup
- form
- low-melting solid
- color
- pale yellow to amber
- Specific Gravity
- 1.21 · 1.21
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- Exposure limits
- 0.1 mg/m3; · ACGIH: TWA 0.1 mg/m3; STEL 0.2 mg/m3 (Skin)NIOSH: IDLH 25 mg/m3; TWA 0.1 mg/m3
- InChI
- InChI=1S/2C5H8O2.2C4H9.Sn/c2*1-4(6)3-5(2)7;2*1-3-4-2;/h2*3,6H,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*4-3-;;;
- InChIKey
- UVDDHYAAWVNATK-VGKOASNMSA-L
- SMILES
- [Sn](CCCC)(CCCC)(O/C(/C)=C\C(=O)C)O/C(/C)=C\C(=O)C
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
H360FD: May damage fertility; May damage the unborn child [Danger Reproductive toxicity]
P203, P260, P264, P270, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 2.3% (5 of 217) of reports.
Danger
H226 (17.5%): Flammable liquid and vapor [Warning Flammable liquids]
Hazard information
Regulatory Information
Chemical: Tin, dibutylbis(2,4-pentanedionato-O,O')-, (OC-6-11)-
REACH registered substance: Dibutylbis(pentane-2,4-dionato-O,O')tin (EC: 245-152-0)
Substance: Dibutylbis(pentane-2,4-dionato-O,O')tin
Other Safety InformationEvaluation - Compounds of dibutyltin
Hazard Classes and Categories
Flam. Liq. 3 (17.5%)
Specific target organ toxicity (repeated exposure) - category 1
Repr. 1B
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3178 4.1/PG 2
- risk_code
- 10-20/21/22-36/37/38-63-68-50/53-48/25-43-34-22-61-60
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07,GHS08,GHS09
- hazard_code
- Xn,N,T
Chemistry & industry
Applications
UsesDibutyltin Bis(acetylacetonate) is used in method for preparing silicone sealant for rail transit
Suppliers
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Related reactions
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Compound notes
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