(acetyloxy)dibutylstannyl acetate

• ChemBase ID: 109638
• Molecular Formular: C12H24O4Sn
• Molecular Mass: 351.01756
• Monoisotopic Mass: 352.06965325
• SMILES: CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C
• Canonical SMILES: CCCC[Sn](OC(=O)C)(OC(=O)C)CCCC
• InChI: InChI=1S/2C4H9.2C2H4O2.Sn/c2*1-3-4-2;2*1-2(3)4;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2
• InChIKey: JJLKTTCRRLHVGL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)dibutylstannyl acetate
• IUPAC Traditional name: di-n-butyl tin diacetate
• Synonyms: DIBUTYL TIN DIACETATE; Diacetoxydi-n-butyltin; Di-n-butyltin diacetate; Diacetoxydibutyltin; Dibutyltin diacetate; 二正丁基二乙酸锡; 二正丁基二乙酸锡; 二醋酸二丁基锡

Database IDs

• CAS Number: 1067-33-0
• EC Number: 213-928-8
• MDL Number: MFCD00008697
• Beilstein Number: 4136035
• PubChem SID: 162095314; 24857495
• PubChem CID: 16682740

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.584
• LogD (pH = 7.4): 0.584
• Log P: 0.584
• Molar Refractivity: 62.9048 cm^3
• Polarizability: 29.974302 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water and most organic solvents
• Apperance: Liquid
• Melting Point: 12°C; 7-10 °C(lit.)
• Boiling Point: 142-145 °C/10 mmHg(lit.); 142-145°C/10mm
• Flash Point: 105 °C; 143°C(290°F); 221 °F
• Density: 1.32 g/mL at 25 °C(lit.); 1.3200
• Refractive Index: 1.4700; n20/D 1.471(lit.)
• Vapor Pressure: 1.3 mmHg ( 25 °C)
• Vapor Density: 12 (vs air)

Safety Information

• RTECS: WH6880000
• European Hazard Symbols: Toxic (T)
• UN Number: 2922; UN2788
• German water hazard class: 3
• Hazard Class: 6.1; 8
• Packing Group: 2; II
• Risk Statements: 25-34; 25-36/37/38; R:25
• Safety Statements: 26-28-36/37/39-45; 26-36/37/39-45; S:28-29-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H314-H400; H300-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P264-P273-P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2922 8/PG 2

Product Information

• Purity: 95%
• Grade: technical grade
• Linear Formula: (CH3CH2CH2CH2)2Sn(OCOCH3)2

DETAILS

MP Biomedicals - 05211975

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 290890

Packaging
50, 250 mL in glass bottle