Back to Search
Molecule
Bismuth Tris(2-Ethylhexanoate)
CAS: 67874-71-9 · C8H16BiO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 67874-71-9
- Molecular Formula
- C8H16BiO2
- Molecular Mass
- 353.19 g/mol
Identifiers
CAS Registry Number
67874-71-9
SMILES
CCCCC(CC)C(=O)O.[Bi]
InChI Key
NNFNMTHLSPQNHF-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2.Bi/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
Names and Synonyms
- Bismuth Tris(2-Ethylhexanoate) Synonym
- Hexanoic acid, 2-ethyl-, bismuth(3+) salt (3:1) Synonym
- Hexanoic acid, 2-ethyl-, bismuth(3+) salt Synonym
- Bismuth(3+) 2-ethylhexanoate Synonym
- Bismuth tris(2-ethylhexanoate) Synonym
- K-KAT 348 Synonym
- Bismuth Hex-Cem Synonym
- Bi Hex-Cem Synonym
- BiCAT HM Synonym
- KK 348 Synonym
- Coscat 28 Synonym
- Pucat 25 Synonym
- Borchi Kat 24 Synonym
- Neostann U 600 Synonym
- U 600 Synonym
- Bicat 8210 Synonym
- Bismuth 2-ethylhexanoate Synonym
- Kat 24 Synonym
- NEOSTAN U 600 Synonym
- Nacure K-Kat 348 Synonym
- Kat 348 Synonym
- Borchi Kat 324 Synonym
- Bismuth octoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 353.19 g/mol | CAS Common Chemistry |
| 353.19399999999996 g/mol | RDKit | |
| 353.194 g/mol | RDKit | |
| 356.218 g/mol | chempirical lib | |
| Canonical SMILES | [Bi].O=C(O)C(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2.Bi/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=NNFNMTHLSPQNHF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bismuth tris(2-ethylhexanoate) | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.9066 | RDKit |
| Molar Refractivity | 46.69580000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 353.09542845199996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 353.19 g/mol. Edit any field — others recompute live.
