Isopropyl valerate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H16O2
Molecular Weight	144.2114
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Isopropyl valerate

Structure Search

SMILES

CCCCC(=O)OC(C)C

InChI

InChIKey=OCAIYHCKLADPEG-UHFFFAOYSA-N

InChI=1S/C8H16O2/c1-4-5-6-8(9)10-7(2)3/h7H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C8H16O2
Molecular Weight	144.2114
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:04:57 GMT 2025` Edited by `admin` on `Mon Mar 31 23:04:57 GMT 2025`
Record UNII	7S68A8S3WM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Valeric acid, isopropyl ester

Preferred Name

English

Isopropyl valerate

Systematic Name

English

Isopropyl pentanoate

Systematic Name

English

Pentanoic acid, 1-methylethyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10171457

Created by admin on Mon Mar 31 23:04:57 GMT 2025 , Edited by admin on Mon Mar 31 23:04:57 GMT 2025

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FDA UNII

7S68A8S3WM

Created by admin on Mon Mar 31 23:04:57 GMT 2025 , Edited by admin on Mon Mar 31 23:04:57 GMT 2025

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ECHA (EC/EINECS)

242-235-3

Created by admin on Mon Mar 31 23:04:57 GMT 2025 , Edited by admin on Mon Mar 31 23:04:57 GMT 2025

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CAS

18362-97-5

Created by admin on Mon Mar 31 23:04:57 GMT 2025 , Edited by admin on Mon Mar 31 23:04:57 GMT 2025

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PUBCHEM

87598

Created by admin on Mon Mar 31 23:04:57 GMT 2025 , Edited by admin on Mon Mar 31 23:04:57 GMT 2025

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