| SpectraBase Spectrum ID |
1PFZeK6a446 |
| Name |
Isopropyl octanoate |
| CAS Registry Number |
5458-59-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H22O2 |
| InChI |
InChI=1S/C11H22O2/c1-4-5-6-7-8-9-11(12)13-10(2)3/h10H,4-9H2,1-3H3 |
| InChIKey |
WCGIIHOFOFCKSM-UHFFFAOYSA-N |
| Molecular Weight |
186.295 g/mol |
| SMILES |
CCCCCCCC(=O)OC(C)C |
| SPLASH |
splash10-06r6-9300000000-9b26b8debd87129ea7dd |
| Source of Spectrum |
LQ-1992-1576-0 |
| Synonyms |
caprylic acid isopropyl ester
iso-Propyl n-octanoate
n-Octanoic acid isopropyl ester
Octanoic acid propan-2-yl ester
Octanoic acid, 1-methylethyl ester
Octanoic acid, isopropyl ester
Propan-2-yl octanoate
AI3-30981
EINECS 226-721-2 |
| Wiley ID |
1183159 |
