HEPTYL 2-METHYLBUTANOATE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H24O2
Molecular Weight	200.3178
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HEPTYL 2-METHYLBUTANOATE

Structure Search

SMILES

CCCCCCCOC(=O)C(C)CC

InChI

InChIKey=CSFWIAGTSVOEOD-UHFFFAOYSA-N

InChI=1S/C12H24O2/c1-4-6-7-8-9-10-14-12(13)11(3)5-2/h11H,4-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C12H24O2
Molecular Weight	200.3178
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 `Mon Mar 31 22:55:24 GMT 2025` Edited by `admin` on `Mon Mar 31 22:55:24 GMT 2025`
Record UNII	N95W4686QB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

HEPTYL 2-METHYLBUTANOATE

Systematic Name

English

BUTANOIC ACID, 2-METHYL-, HEPTYL ESTER

Preferred Name

English

HEPTYL 2-METHYLBUTYRATE

Systematic Name

English

N-HEPTYL 2-METHYLBUTYRATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

546235

Created by admin on Mon Mar 31 22:55:24 GMT 2025 , Edited by admin on Mon Mar 31 22:55:24 GMT 2025

PRIMARY

FDA UNII

N95W4686QB

Created by admin on Mon Mar 31 22:55:24 GMT 2025 , Edited by admin on Mon Mar 31 22:55:24 GMT 2025

PRIMARY

CAS

50862-12-9

Created by admin on Mon Mar 31 22:55:24 GMT 2025 , Edited by admin on Mon Mar 31 22:55:24 GMT 2025

PRIMARY

EPA CompTox

DTXSID80866166

Created by admin on Mon Mar 31 22:55:24 GMT 2025 , Edited by admin on Mon Mar 31 22:55:24 GMT 2025

PRIMARY

ECHA (EC/EINECS)

256-811-7

Created by admin on Mon Mar 31 22:55:24 GMT 2025 , Edited by admin on Mon Mar 31 22:55:24 GMT 2025

PRIMARY