| SpectraBase Spectrum ID |
92kkPNHYiOC |
| Name |
Octanoic acid, 3-methylbutyl ester |
| CAS Registry Number |
2035-99-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H26O2 |
| InChI |
InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3 |
| InChIKey |
XKWSWANXMRXDES-UHFFFAOYSA-N |
| Molecular Weight |
214.349 g/mol |
| SMILES |
C(CCCCC(=O)OCCC(C)C)CC |
| SPLASH |
splash10-0596-9100000000-29c65c902b7ea79e5053 |
| Source of Spectrum |
MG-152-0-0 |
| Synonyms |
3-Methylbutyl octanoate
caprylic acid isoamyl ester
iso-Amyl n-octanoate
Isoamyl caprylate
Isoamyl octanoate
Isoamyl octylate
Isopentyl alcohol, octanoate
Isopentyl octanoate
Isopentyl octylate
n-Caprylic acid isoamyl ester
Octanoic acid, isopentyl ester
AI3-01827
BRN 1767760
EINECS 218-004-8
FEMA NO. 2080 |
| Wiley ID |
1213871 |
