3-(4-Isobutylphenyl)-2-methylpropanal

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H20O
Molecular Weight	204.308
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(4-Isobutylphenyl)-2-methylpropanal

Structure Search

SMILES

CC(C)CC1=CC=C(CC(C)C=O)C=C1

InChI

InChIKey=YLIXVKUWWOQREC-UHFFFAOYSA-N

InChI=1S/C14H20O/c1-11(2)8-13-4-6-14(7-5-13)9-12(3)10-15/h4-7,10-12H,8-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C14H20O
Molecular Weight	204.308
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 19:14:16 GMT 2025` Edited by `admin` on `Wed Apr 02 19:14:16 GMT 2025`
Record UNII	Z3NXK8Y7EX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(4-Isobutylphenyl)-2-methylpropanal

Systematic Name

English

Benzenepropanal, ?-methyl-4-(2-methylpropyl)-

Preferred Name

English

?-Methyl-4-(2-methylpropyl)benzenepropanal

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID4052346

Created by admin on Wed Apr 02 19:14:16 GMT 2025 , Edited by admin on Wed Apr 02 19:14:16 GMT 2025

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ECHA (EC/EINECS)

229-695-0

Created by admin on Wed Apr 02 19:14:16 GMT 2025 , Edited by admin on Wed Apr 02 19:14:16 GMT 2025

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CAS

6658-48-6

Created by admin on Wed Apr 02 19:14:16 GMT 2025 , Edited by admin on Wed Apr 02 19:14:16 GMT 2025

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PUBCHEM

110914

Created by admin on Wed Apr 02 19:14:16 GMT 2025 , Edited by admin on Wed Apr 02 19:14:16 GMT 2025

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FDA UNII

Z3NXK8Y7EX

Created by admin on Wed Apr 02 19:14:16 GMT 2025 , Edited by admin on Wed Apr 02 19:14:16 GMT 2025

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