dibutyl[(2-ethylhexanoyl)oxy]stannyl 2-ethylhexanoate

• ChemBase ID: 106974
• Molecular Formular: C24H48O4Sn
• Molecular Mass: 519.33652
• Monoisotopic Mass: 520.25745402
• SMILES: CCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)OC(=O)C(CC)CCCC
• Canonical SMILES: CCCC[Sn](OC(=O)C(CCCC)CC)(OC(=O)C(CCCC)CC)CCCC
• InChI: InChI=1S/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
• InChIKey: GPDWNEFHGANACG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutyl[(2-ethylhexanoyl)oxy]stannyl 2-ethylhexanoate
• IUPAC Traditional name: dibutyl[(2-ethylhexanoyl)oxy]stannyl 2-ethylhexanoate
• Synonyms: DIBUTYL TIN DI-2-ETHYLHEXOATE; Dibutyltin bis(2-ethylhexanoate); 二正丁基二异辛酸锡

Database IDs

• CAS Number: 2781-10-4
• EC Number: 220-481-2
• MDL Number: MFCD00015261
• PubChem SID: 162093768
• PubChem CID: 16682803

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.1356
• LogD (pH = 7.4): 6.1356
• Log P: 6.1356
• Molar Refractivity: 118.1156 cm^3
• Polarizability: 51.83199 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 57-59 °C(lit.)

Safety Information

• RTECS: WH6714500
• European Hazard Symbols: Toxic (T)
• UN Number: 3146
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23/24/25-36/37/38
• Safety Statements: 26-28-36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H311 + H331-H315-H319-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3146 6.1/PG 3

Product Information

• Linear Formula: [CH3(CH2)3CH(C2H5)CO2]2Sn[(CH2)3CH3]2

DETAILS

MP Biomedicals - 05202101

MP Biomedicals Rare Chemical collection