Butyltin tris(2-ethylhexanoate)

C₂₈H₅₄O₆SnCAS 23850-94-4605.44 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₂₈H₅₄O₆Sn
Molar mass: 605.44 g/mol
Exact mass: 606.2942 Da
logP: 4.10Crippen estimate
Polar surface area: 120.4 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 16

Hazards

Danger

H314 Causes severe skin burns and eye damage22.8% of notifiers
H315 Causes skin irritation66.4% of notifiers
H319 Causes serious eye irritation63.7% of notifiers
H412 Harmful to aquatic life with long lasting effects59.1% of notifiers

Aggregated from 557 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

23850-94-4

SMILES

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[CH2]CCC.[Sn+3]

InChIKey

GVKORIDPEBYOFR-UHFFFAOYSA-K

InChI

InChI=1S/3C8H16O2.C4H9.Sn/c3*1-3-5-6-7(4-2)8(9)10;1-3-4-2;/h3*7H,3-6H2,1-2H3,(H,9,10);1,3-4H2,2H3;/q;;;;+3/p-3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

Hexanoic acid, 2-ethyl-, 1,1′,1′′-(butylstannylidyne) ester
Stannane, butyltris[(2-ethylhexanoyl)oxy]-
Stannane, butyltris[(2-ethyl-1-oxohexyl)oxy]-
Monobutyltin tris(2-ethylhexanoate)
Fascat 4102
Fascat 9201
Tegokat 220
Butyltin tris(2-ethylhexoate)
TIB KAT 220
Fascat 9102
Hexanoic acid, 2-ethyl-, 1,1',1''-(butylstannylidyne) ester

Work with Butyltin tris(2-ethylhexanoate)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1′-(Dibutylstannylene) bis(2-ethylhexanoate)2781-10-483 % similar Manganese bis(2-ethylhexanoate)13434-24-774 % similar Calcium 2-ethylhexanoate136-51-669 % similar Cobalt octoate136-52-769 % similar Zinc 2-ethylhexanoate136-53-869 % similar Copper(II) 2-ethylhexanoate149-11-169 % similar Sodium 2-ethylhexanoate19766-89-369 % similar Lead bis(2-ethylhexanoate)301-08-669 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook