1-Methylpropyl octanoate
CAS Registry Number®
5458-61-7
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CAS Name
1-Methylpropyl octanoateMolecular Formula
C12H24O2Molecular Mass
200.32Cite this Page
1-Methylpropyl octanoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=5458-61-7 (retrieved ) (CAS RN: 5458-61-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
95-97 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C12H24O2/c1-4-6-7-8-9-10-12(13)14-11(3)5-2/h11H,4-10H2,1-3H3
InChIKey
InChIKey=YLQZZVGQNWNEFP-UHFFFAOYSA-N
SMILES
C(OC(CC)C)(CCCCCCC)=O
Canonical SMILES
O=C(OC(C)CC)CCCCCCC
Other Names for this Substance
- Octanoic acid, 1-methylpropyl ester
- Octanoic acid, sec-butyl ester
- 1-Methylpropyl octanoate
- Caprylic acid 2-butanol ester
- sec-Butyl octanoate
