Butyl butyrate
1366
Reference
Butyl butyrate Structure
Systematic / IUPAC Name: n-Butyl n-butanoate
ID: Reference1366
Other Names:
n-Butyl butyrate;
Butanoic acid, butyl ester;
1-Butyl butyrate;
n-Butyl-n-butyrate
Formula: C8H16O2
Class: Endogenous Metabolites Excipients/Additives/Colorants
Spectral Data
Butyl butyrate 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 | 1 |
| No. of Spectra | 55 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/4/2014 8:03:16 AM |
Identificators
| InChI | InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3 |
| InChI Key | XUPYJHCZDLZNFP-UHFFFAOYSA-N |
| Canonical SMILES | CCCCOC(=O)CCC |
| CAS | 109217 |
| Splash | |
| Other Names |
n-Butyl butyrate; Butanoic acid, butyl ester; 1-Butyl butyrate; n-Butyl-n-butyrate |
In Other Databases
| Wikipedia | Butyl butyrate |
| ChemIDPlus | 000109217 |
| HMDb | HMDB39620 |
| ChemSpider | 7694 |
| PubChem | 7983 |