Isopropyl 2-ethylbutyrate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H18O2
Molecular Weight	158.238
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Isopropyl 2-ethylbutyrate

Structure Search

SMILES

CCC(CC)C(=O)OC(C)C

InChI

InChIKey=RQVSMUXCVPHBOU-UHFFFAOYSA-N

InChI=1S/C9H18O2/c1-5-8(6-2)9(10)11-7(3)4/h7-8H,5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C9H18O2
Molecular Weight	158.238
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 `Tue Apr 01 18:23:16 GMT 2025` Edited by `admin` on `Tue Apr 01 18:23:16 GMT 2025`
Record UNII	VZ4JW576ZU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Isopropyl 2-ethylbutyrate

Systematic Name

English

AI3-30213

Preferred Name

English

Propan-2-yl 2-ethylbutanoate

Systematic Name

English

NSC-20007

Code

English

Butanoic acid, 2-ethyl-, 1-methylethyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

78806

Created by admin on Tue Apr 01 18:23:16 GMT 2025 , Edited by admin on Tue Apr 01 18:23:16 GMT 2025

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ECHA (EC/EINECS)

225-871-6

Created by admin on Tue Apr 01 18:23:16 GMT 2025 , Edited by admin on Tue Apr 01 18:23:16 GMT 2025

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CAS

5129-47-5

Created by admin on Tue Apr 01 18:23:16 GMT 2025 , Edited by admin on Tue Apr 01 18:23:16 GMT 2025

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EPA CompTox

DTXSID00199286

Created by admin on Tue Apr 01 18:23:16 GMT 2025 , Edited by admin on Tue Apr 01 18:23:16 GMT 2025

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NSC

20007

Created by admin on Tue Apr 01 18:23:16 GMT 2025 , Edited by admin on Tue Apr 01 18:23:16 GMT 2025

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FDA UNII

VZ4JW576ZU

Created by admin on Tue Apr 01 18:23:16 GMT 2025 , Edited by admin on Tue Apr 01 18:23:16 GMT 2025

PRIMARY