1. Primary Information
| English name: | Acetyl tributyl citrate |
| CAS No.: | 77-90-7 |
| Molecular formula: | C20H34O8 |
| Molecular weight: | 402.5 g/mol |
| SMILES: | CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C |
| Structural class: | |
| Other identifiers: |
2-acetyltributylcitrate acetyl tributyl citrate acetyltributylcitrate ATBC plasticizer |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | GC≥98% | 720 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
4.2 InChI
InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
4.3 InChIKey
QZCLKYGREBVARF-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
