dibutyl(dodecanoyloxy)stannyl dodecanoate

• ChemBase ID: 148988
• Molecular Formular: C32H64O4Sn
• Molecular Mass: 631.54916
• Monoisotopic Mass: 632.38265453
• SMILES: CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC
• Canonical SMILES: CCCC[Sn](OC(=O)CCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)CCCC
• InChI: InChI=1S/2C12H24O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2
• InChIKey: UKLDJPRMSDWDSL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutyl(dodecanoyloxy)stannyl dodecanoate
• IUPAC Traditional name: dibutyltin dilaurate
• Synonyms: Dibutyltin dilaurate; 二月桂酸二丁基锡

Database IDs

• CAS Number: 77-58-7
• EC Number: 201-039-8
• MDL Number: MFCD00008963
• Beilstein Number: 4156980
• PubChem SID: 24857520; 162243158; 24861645
• PubChem CID: 16682738

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 8.9738
• LogD (pH = 7.4): 8.9738
• Log P: 8.9738
• Molar Refractivity: 154.9766 cm^3
• Polarizability: 66.50061 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 30
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.066 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.471; n20/D 1.471(lit.)
• Vapor Pressure: 0.2 mmHg ( 160 °C)
• Transition Temperature: solidification point 21-24 °C(lit.)

Safety Information

• RTECS: WH7000000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 25-26-36/38-43-50/53
• Safety Statements: 26-28-36/37-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H317-H319-H330-H400
• GHS Precautionary statements: P260-P273-P280-P284-P301 + P310-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 2922 8/PG 3

Product Information

• Purity: 95%
• Grade: SAJ first grade; technical
• Linear Formula: (CH3CH2CH2CH2)2Sn[OCO(CH2)10CH3]2

DETAILS

Sigma Aldrich - 291234

Packaging
5, 25, 100 g in glass bottle