ISOAMYL OCTANOATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H26O2
Molecular Weight	214.3443
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCC(=O)OCCC(C)C

InChI

InChIKey=XKWSWANXMRXDES-UHFFFAOYSA-N

InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H26O2
Molecular Weight	214.3443
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Quantitative ester analysis in cachaca and distilled spirits by gas chromatography-mass spectrometry (GC-MS).	2008-07-23	18570431
Development of a dynamic headspace solid-phase microextraction procedure coupled to GC-qMSD for evaluation the chemical profile in alcoholic beverages.	2008-02-18	18243877

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:36:31 GMT 2025` Edited by `admin` on `Mon Mar 31 18:36:31 GMT 2025`
Record UNII	2EX40079OL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOAMYL OCTANOATE

Systematic Name

English

FEMA NO. 2080

Preferred Name

English

ISOPENTYL OCTANOATE

Systematic Name

English

3-METHYLBUTYL OCTANOATE

Systematic Name

English

ISOAMYL OCTANOATE [FHFI]

Common Name

English

OCTANOIC ACID, 3-METHYLBUTYL ESTER

Common Name

English

ISOAMYL CAPRYLATE

Systematic Name

English

OCTANOIC ACID, ISOPENTYL ESTER

Common Name

English

OCTANOIC ACID, ISOPENTYL-ESTER

Common Name

English

ISOPENTYL ALCOHOL, OCTANOATE

Systematic Name

English

Classification Tree Code System Code

CFR

21 CFR 172.515