HEXYL HEXANOATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H24O2
Molecular Weight	200.3178
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCOC(=O)CCCCC

InChI

InChIKey=NCDCLPBOMHPFCV-UHFFFAOYSA-N

InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H24O2
Molecular Weight	200.3178
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
Characterization of the aromatic profile in aqueous essence and fruit juice of yellow passion fruit (Passiflora edulis Sims F. Flavicarpa degner) by GC-MS and GC/O.	2002 Mar 13	11879031
Functional characterization of a melon alcohol acyl-transferase gene family involved in the biosynthesis of ester volatiles. Identification of the crucial role of a threonine residue for enzyme activity*.	2005 Sep	16247561

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:43:31 GMT 2023` Edited by `admin` on `Fri Dec 15 18:43:31 GMT 2023`
Record UNII	GI6FE1QMW6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEXYL HEXANOATE

Systematic Name

English

HEXYL CAPRONATE

Common Name

English

HEXYL HEXANOATE [FCC]

Common Name

English

HEXANOIC ACID, HEXYL ESTER

Common Name

English

NSC-53799

Code

English

HEXYL CAPROATE

Systematic Name

English

HEXYL HEXANOATE [FHFI]

Common Name

English

FEMA NO. 2572

Code

English

N-HEXYL HEXANOATE

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

HEXYL HEXANOATE