BUTYL 2-METHYLPENTANOATE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H20O2
Molecular Weight	172.2646
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTYL 2-METHYLPENTANOATE

Structure Search

SMILES

CCCCOC(=O)C(C)CCC

InChI

InChIKey=FMVUGLMJUHFPSJ-UHFFFAOYSA-N

InChI=1S/C10H20O2/c1-4-6-8-12-10(11)9(3)7-5-2/h9H,4-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C10H20O2
Molecular Weight	172.2646
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 16:29:20 GMT 2025` Edited by `admin` on `Tue Apr 01 16:29:20 GMT 2025`
Record UNII	Q63U45E21J
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-17885

Preferred Name

English

BUTYL 2-METHYLPENTANOATE

Systematic Name

English

VALERIC ACID, 2-METHYL-, BUTYL ESTER

Systematic Name

English

PENTANOIC ACID, 2-METHYL-, BUTYL ESTER

Common Name

English

Code System Code Type Description

CAS

6297-41-2

Created by admin on Tue Apr 01 16:29:20 GMT 2025 , Edited by admin on Tue Apr 01 16:29:20 GMT 2025

PRIMARY

PUBCHEM

95539

Created by admin on Tue Apr 01 16:29:20 GMT 2025 , Edited by admin on Tue Apr 01 16:29:20 GMT 2025

PRIMARY

NSC

17885

Created by admin on Tue Apr 01 16:29:20 GMT 2025 , Edited by admin on Tue Apr 01 16:29:20 GMT 2025

PRIMARY

FDA UNII

Q63U45E21J

Created by admin on Tue Apr 01 16:29:20 GMT 2025 , Edited by admin on Tue Apr 01 16:29:20 GMT 2025

PRIMARY

ECHA (EC/EINECS)

228-569-2

Created by admin on Tue Apr 01 16:29:20 GMT 2025 , Edited by admin on Tue Apr 01 16:29:20 GMT 2025

PRIMARY

EPA CompTox

DTXSID70863740

Created by admin on Tue Apr 01 16:29:20 GMT 2025 , Edited by admin on Tue Apr 01 16:29:20 GMT 2025

PRIMARY