1,3-Dimethylbutyl formate

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C7H14O2
Molecular Weight	130.1849
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,3-Dimethylbutyl formate

Structure Search

SMILES

CC(C)CC(C)OC=O

InChI

InChIKey=VJKXDWCVZONWBR-UHFFFAOYSA-N

InChI=1S/C7H14O2/c1-6(2)4-7(3)9-5-8/h5-7H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C7H14O2
Molecular Weight	130.1849
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 `Wed Apr 02 12:13:22 GMT 2025` Edited by `admin` on `Wed Apr 02 12:13:22 GMT 2025`
Record UNII	FT4HNT32GU
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1,3-Dimethylbutyl formate

Systematic Name

English

2-Pentanol, 4-methyl-, 2-formate

Preferred Name

English

NSC-566

Systematic Name

English

2-Pentanol, 4-methyl-, formate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50277048

Created by admin on Wed Apr 02 12:13:22 GMT 2025 , Edited by admin on Wed Apr 02 12:13:22 GMT 2025

PRIMARY

PUBCHEM

219360

Created by admin on Wed Apr 02 12:13:22 GMT 2025 , Edited by admin on Wed Apr 02 12:13:22 GMT 2025

PRIMARY

FDA UNII

FT4HNT32GU

Created by admin on Wed Apr 02 12:13:22 GMT 2025 , Edited by admin on Wed Apr 02 12:13:22 GMT 2025

PRIMARY

CAS

5332-86-5

Created by admin on Wed Apr 02 12:13:22 GMT 2025 , Edited by admin on Wed Apr 02 12:13:22 GMT 2025

PRIMARY

NSC

566

Created by admin on Wed Apr 02 12:13:22 GMT 2025 , Edited by admin on Wed Apr 02 12:13:22 GMT 2025

PRIMARY