CAS 5458-59-3: Isopropyl octanoate

Description:Isopropyl octanoate, with the CAS number 5458-59-3, is an ester formed from isopropanol and octanoic acid. It is characterized by its pleasant, fruity odor, making it useful in the flavor and fragrance industries. The compound is typically a colorless to pale yellow liquid that is insoluble in water but soluble in organic solvents, which is a common trait of esters. Isopropyl octanoate has a relatively low boiling point and a moderate vapor pressure, indicating it can evaporate easily at room temperature. Its chemical structure contributes to its stability under normal conditions, although it may undergo hydrolysis in the presence of strong acids or bases. This compound is often utilized in formulations for cosmetics, personal care products, and as a solvent in various applications. Additionally, it is recognized for its potential use as a flavoring agent in food products, providing a creamy or fatty note. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.

Formula:C₁₁H₂₂O₂

InChI:InChI=1S/C11H22O2/c1-4-5-6-7-8-9-11(12)13-10(2)3/h10H,4-9H2,1-3H3

InChI key:InChIKey=WCGIIHOFOFCKSM-UHFFFAOYSA-N

SMILES:O=C(OC(C)C)CCCCCCC

Synonyms:
1-Methylethyl octanoate
Isopropyl caprylate
Isopropyl octanoate
NSC 23737
Octanoic acid, 1-methylethyl ester
Octanoic acid, isopropyl ester
Propan-2-Yl Octanoate
n-Caprylic acid isopropyl ester
n-Octanoic acid isopropyl ester

Found 5 products.

Product data	Purity	Price range	Estimated delivery
Isopropyl n-Octanoate REF: 3B-O0157CAS: 5458-59-3	>97.0%(GC)	38.00 €	Mon 07 Apr 25
N-CAPRYLIC ACID ISOPROPYL ESTER REF: IN-DA003SVDCAS: 5458-59-3	98%	37.00 €~154.00 €	Mon 14 Apr 25
Propan-2-yl octanoate REF: 54-BUP13794CAS: 5458-59-3	99.7%	82.00 €~489.00 €	Tue 15 Apr 25
Propan-2-yl octanoate REF: TM-T84088CAS: 5458-59-3	99.71%	41.00 €~349.00 €	Tue 15 Apr 25
Isopropyl n-Octanoate REF: 3D-FAA45859CAS: 5458-59-3	Min. 95%	- - -	Discontinued product