Hexyl 2-ethylhexanoate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H28O2
Molecular Weight	228.3709
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Hexyl 2-ethylhexanoate

Structure Search

SMILES

CCCCCCOC(=O)C(CC)CCCC

InChI

InChIKey=HGJAQCVKJLUCKW-UHFFFAOYSA-N

InChI=1S/C14H28O2/c1-4-7-9-10-12-16-14(15)13(6-3)11-8-5-2/h13H,4-12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C14H28O2
Molecular Weight	228.3709
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:47:45 GMT 2025` Edited by `admin` on `Tue Apr 01 19:47:45 GMT 2025`
Record UNII	YVF4FS3AXT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-8254

Preferred Name

English

Hexyl 2-ethylhexanoate

Systematic Name

English

Hexanoic acid, 2-ethyl-, hexyl ester

Systematic Name

English

Code System Code Type Description

CAS

20748-87-2

Created by admin on Tue Apr 01 19:47:45 GMT 2025 , Edited by admin on Tue Apr 01 19:47:45 GMT 2025

PRIMARY

FDA UNII

YVF4FS3AXT

Created by admin on Tue Apr 01 19:47:45 GMT 2025 , Edited by admin on Tue Apr 01 19:47:45 GMT 2025

PRIMARY

ECHA (EC/EINECS)

244-006-3

Created by admin on Tue Apr 01 19:47:45 GMT 2025 , Edited by admin on Tue Apr 01 19:47:45 GMT 2025

PRIMARY

PUBCHEM

89379

Created by admin on Tue Apr 01 19:47:45 GMT 2025 , Edited by admin on Tue Apr 01 19:47:45 GMT 2025

PRIMARY

NSC

8254

Created by admin on Tue Apr 01 19:47:45 GMT 2025 , Edited by admin on Tue Apr 01 19:47:45 GMT 2025

PRIMARY

EPA CompTox

DTXSID70885149

Created by admin on Tue Apr 01 19:47:45 GMT 2025 , Edited by admin on Tue Apr 01 19:47:45 GMT 2025

PRIMARY