4-({dibutyl[(4-oxopent-2-en-2-yl)oxy]stannyl}oxy)pent-3-en-2-one

• ChemBase ID: 151334
• Molecular Formular: C18H32O4Sn
• Molecular Mass: 431.14528
• Monoisotopic Mass: 432.1322535
• SMILES: CCCC[Sn](O/C(=C/C(=O)C)/C)(O/C(=C/C(=O)C)/C)CCCC
• Canonical SMILES: CCCC[Sn](O/C(=C/C(=O)C)/C)(O/C(=C/C(=O)C)/C)CCCC
• 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
• InChIKey: UVDDHYAAWVNATK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({dibutyl[(4-oxopent-2-en-2-yl)oxy]stannyl}oxy)pent-3-en-2-one
• IUPAC Traditional name: 4-({dibutyl[(4-oxopent-2-en-2-yl)oxy]stannyl}oxy)pent-3-en-2-one
• Synonyms: Sn(acac)Bu2; Dibutyltin bis(acetylacetonate); 二正丁基双(乙酰丙酮基)锡

Database IDs

• CAS Number: 22673-19-4
• EC Number: 245-152-0
• MDL Number: MFCD00077994
• PubChem SID: 24874149; 162245489
• PubChem CID: 16702417

CALCULATED PROPERTIES

• Acid pKa: 19.124262
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.402
• LogD (pH = 7.4): 1.402
• Log P: 1.402
• Molar Refractivity: 94.3224 cm^3
• Polarizability: 40.369507 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: low-melting solid
• Melting Point: 26 °C(lit.)
• Boiling Point: 150 °C(lit.)
• Flash Point: 129.2 °F; 54 °C
• Density: 1.22 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5110(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 63-10-20/21/22-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302 + H312 + H332-H315-H319-H335-H361
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: 95%
• Linear Formula: [CH3COCH=C(O-)CH3]2Sn[(CH2)3CH3]2

DETAILS

Sigma Aldrich - 520586

Packaging
500 mL in glass bottle