Tributyltin 2-ethylhexanoate

Base Information

• Chemical Name: Tributyltin 2-ethylhexanoate
• CAS No.: 5035-67-6
• Molecular Formula: C20H42 O2 Sn
• Molecular Weight: 433.262
• Hs Code.: 2915900090
• European Community (EC) Number: 225-726-7
• DSSTox Substance ID: DTXSID801035159
• NSC Number: 80691
• Mol file: 5035-67-6.mol

Synonyms:Tributyltin 2-ethylhexanoate;5035-67-6;Tributyl((2-ethylhexanoyl)oxy)stannane;Stannane, ((2-ethylhexanoyl)oxy)tributyl;TRIBUTYL[(2-ETHYLHEXANOYL)OXY]STANNANE;Stannane, tributyl[(2-ethyl-1-oxohexyl)oxy]-;Stannane, tributyl((2-ethyl-1-oxohexyl)oxy)-;Tributyltin 2-ethylcaproate;Stannane, [(2-ethylhexanoyl)oxy]tributyl;EINECS 225-726-7;NSC 80691;Stannane, tributyl((2-ethylhexanoyl)oxy)-;Tributyl((2-ethyl-1-oxohexyl)oxy)stannane;Tin, tributyl((2-ethylhexanoyl)oxy)-;DTXSID801035159;NSC80691;NSC-80691;AKOS024429036;WLN: 4Y2&VO-SN-4&4&4;NS00045315;Tributyl[(2-ethyl-1-oxohexyl)oxy]-stannane

Chemical Property of Tributyltin 2-ethylhexanoate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: g/cm³
• LogP: 7.09180
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 434.220683
• Heavy Atom Count: 23
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

TRIBUTYLTIN 2-ETHYLHEXANOATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion. TWA 0.1 mg(Sn)/m³; STEL 0.2 mg(Sn)/m³ (skin).
• Hazard Codes: Moderately toxic by ingestion. TWA 0.1 mg(Sn)/m3; STEL 0.2 mg(Sn)/m3 (skin).

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)CCCC

Technology Process of Tributyltin 2-ethylhexanoate

There total 3 articles about Tributyltin 2-ethylhexanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(C4H9)3SnCH2CH2OCOCH(C2H5)(C4H9) (125610-56-2) → (C4H9)3SnOCOCH(C2H5)(C4H9) (5035-67-6)

Guidance literature:

In neat (no solvent); byproducts: C2H4; decompn. (150°C, 7 h);

DOI:10.1021/om00118a073

Reference yield:

2-Ethylhexanoic acid (149-57-5) + bis(tri-n-butyltin)oxide (56-35-9) → (C4H9)3SnOCOCH(C2H5)(C4H9) (5035-67-6)

Guidance literature:

byproducts: H2O; above 105°C;

Reference yield:

→ Tributyl tin octoate (5035-67-6)

Guidance literature:

upstream raw materials:

2-Ethylhexanoic acid

bis(tri-n-butyltin)oxide

(C₄H₉)3SnCH₂CH₂OCOCH(C₂H₅)(C₄H₉)

Refernces

• 1、 Jousseaume, Bernard,Gouron, Véronique,Maillard, Bernard,Pereyre, Michel,Francès, Jean-Marc. "New latent organotin catalysts: Preparation and mechanism of the thermal decomposition of bis(2-(acyloxy)alkyl)diorganotins". . p. 1330 - 1331. Retrieved 2008/10/08.