2-(3,5-Dimethylphenyl)ethyl isobutyrate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H20O2
Molecular Weight	220.3074
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(3,5-Dimethylphenyl)ethyl isobutyrate

Structure Search

SMILES

CC(C)C(=O)OCCC1=CC(C)=CC(C)=C1

InChI

InChIKey=XZMQEOBINXEKCC-UHFFFAOYSA-N

InChI=1S/C14H20O2/c1-10(2)14(15)16-6-5-13-8-11(3)7-12(4)9-13/h7-10H,5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C14H20O2
Molecular Weight	220.3074
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 19:29:42 GMT 2025` Edited by `admin` on `Tue Apr 01 19:29:42 GMT 2025`
Record UNII	QSY8L852YM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(3,5-Dimethylphenyl)ethyl isobutyrate

Systematic Name

English

2-(3,5-Dimethylphenyl)ethyl 2-methylpropanoate

Preferred Name

English

Propanoic acid, 2-methyl-, 2-(3,5-dimethylphenyl)ethyl ester

Systematic Name

English

Code System Code Type Description

CAS

94134-80-2

Created by admin on Tue Apr 01 19:29:42 GMT 2025 , Edited by admin on Tue Apr 01 19:29:42 GMT 2025

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FDA UNII

QSY8L852YM

Created by admin on Tue Apr 01 19:29:42 GMT 2025 , Edited by admin on Tue Apr 01 19:29:42 GMT 2025

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PUBCHEM

3023693

Created by admin on Tue Apr 01 19:29:42 GMT 2025 , Edited by admin on Tue Apr 01 19:29:42 GMT 2025

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EPA CompTox

DTXSID20240729

Created by admin on Tue Apr 01 19:29:42 GMT 2025 , Edited by admin on Tue Apr 01 19:29:42 GMT 2025

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ECHA (EC/EINECS)

302-850-0

Created by admin on Tue Apr 01 19:29:42 GMT 2025 , Edited by admin on Tue Apr 01 19:29:42 GMT 2025

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