Citroflex 4
Citroflex 4 Structure
Systematic / IUPAC Name: Tributyl 2-hydroxypropane-1,2,3-tricarboxylate
ID: Reference2665
Other Names:
n-Butyl citrate;
1,2,3-Propanetricarboxylic acid, 2-hydroxy, 1,2,3-tributyl ester;
1,2,3-Propanetricarboxylic acid, 2-hydroxy, tributyl ester;
1,2,3-Tributyl 2-hydroxypropane-1,2,3-tricarboxylate;
2-Hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester
; more
Formula: C18H32O7
Class: Extractables/Leachables Industrial Chemicals Personal Care Products/Cosmetics Textile Chemicals/Auxiliary/Dyes
Spectral Data
Citroflex 4 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 236 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI; APCI |
| Analyzers | FT |
| Last Modification | 3/16/2016 1:04:57 PM |
Identificators
| InChI | InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3 |
| InChI Key | ZFOZVQLOBQUTQQ-UHFFFAOYSA-N |
| Canonical SMILES | CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O |
| CAS | 77941 |
| Splash | |
| Other Names |
n-Butyl citrate; 1,2,3-Propanetricarboxylic acid, 2-hydroxy, 1,2,3-tributyl ester; 1,2,3-Propanetricarboxylic acid, 2-hydroxy, tributyl ester; 1,2,3-Tributyl 2-hydroxypropane-1,2,3-tricarboxylate; 2-Hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester; Butyl citrate; Citric acid tri-n-butyl ester; Citric acid tributyl ester; tri-n-Butyl citrate; Tributyl citrate |
In Other Databases
| ChemIDPlus | 000077941 |
| PubChem | 6507 |
| ChemSpider | 6261 |
| ChEMBL | CHEMBL2107619 |