3-PHENYL-4-PENTENAL

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H12O
Molecular Weight	160.2124
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-PHENYL-4-PENTENAL

Structure Search

SMILES

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

InChI

InChIKey=XQTAGXUFCZLHIQ-UHFFFAOYSA-N

InChI=1S/C11H12O/c1-2-10(8-9-12)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2

HIDE SMILES / InChI

Molecular Formula	C11H12O
Molecular Weight	160.2124
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 `Mon Mar 31 19:21:54 GMT 2025` Edited by `admin` on `Mon Mar 31 19:21:54 GMT 2025`
Record UNII	8264F86R6A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-PHENYL-4-PENTENAL

Systematic Name

English

FEMA NO. 3318

Preferred Name

English

.BETA.-ETHENYLBENZENEPROPANAL

Systematic Name

English

.BETA.-VINYLHYDROCINNAMALDEHYDE

Systematic Name

English

3-PHENYL-4-PENTENAL [FHFI]

Common Name

English

(±)-3-PHENYL-4-PENTENAL

Systematic Name

English

BENZENEPROPANAL, .BETA.-ETHENYL-

Systematic Name

English

HYDROCINNAMALDEHYDE, .BETA.-VINYL-

Systematic Name

English

3-PHENYL-3-VINYLPROPIONALDEHYDE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

3-PHENYL-4-PENTENAL

Created by admin on Mon Mar 31 19:21:54 GMT 2025 , Edited by admin on Mon Mar 31 19:21:54 GMT 2025

Code System Code Type Description

ECHA (EC/EINECS)

213-356-9

Created by admin on Mon Mar 31 19:21:54 GMT 2025 , Edited by admin on Mon Mar 31 19:21:54 GMT 2025

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EPA CompTox

DTXSID10862479

Created by admin on Mon Mar 31 19:21:54 GMT 2025 , Edited by admin on Mon Mar 31 19:21:54 GMT 2025

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PUBCHEM

61243

Created by admin on Mon Mar 31 19:21:54 GMT 2025 , Edited by admin on Mon Mar 31 19:21:54 GMT 2025

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FDA UNII

8264F86R6A

Created by admin on Mon Mar 31 19:21:54 GMT 2025 , Edited by admin on Mon Mar 31 19:21:54 GMT 2025

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JECFA MONOGRAPH

560

Created by admin on Mon Mar 31 19:21:54 GMT 2025 , Edited by admin on Mon Mar 31 19:21:54 GMT 2025

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CAS

939-21-9

Created by admin on Mon Mar 31 19:21:54 GMT 2025 , Edited by admin on Mon Mar 31 19:21:54 GMT 2025

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