4-tert-Butylcinnamaldehyde

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H16O
Molecular Weight	188.2655
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-tert-Butylcinnamaldehyde

Structure Search

SMILES

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

InChI

InChIKey=ICSATJUWLAEQQU-SNAWJCMRSA-N

InChI=1S/C13H16O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-10H,1-3H3/b5-4+

HIDE SMILES / InChI

Molecular Formula	C13H16O
Molecular Weight	188.2655
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:30:35 GMT 2025` Edited by `admin` on `Mon Mar 31 23:30:35 GMT 2025`
Record UNII	8A6JPK6WSA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

p-tert-Butylcinnamaldehyde

Preferred Name

English

4-tert-Butylcinnamaldehyde

Common Name

English

(E)-4-tert-Butylcinnamaldehyde

Common Name

English

3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal

Systematic Name

English

trans-4-tert-Butylcinnamaldehyde

Systematic Name

English

(E)-3-(4-(tert-Butyl)phenyl)acrylaldehyde

Common Name

English

(2E)-3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal

Systematic Name

English

2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-, (2E)-

Systematic Name

English

2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-

Systematic Name

English

Code System Code Type Description

CAS

84434-23-1

Created by admin on Mon Mar 31 23:30:35 GMT 2025 , Edited by admin on Mon Mar 31 23:30:35 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

6365958

Created by admin on Mon Mar 31 23:30:35 GMT 2025 , Edited by admin on Mon Mar 31 23:30:35 GMT 2025

PRIMARY

EPA CompTox

DTXSID201268532

Created by admin on Mon Mar 31 23:30:35 GMT 2025 , Edited by admin on Mon Mar 31 23:30:35 GMT 2025

PRIMARY

FDA UNII

8A6JPK6WSA

Created by admin on Mon Mar 31 23:30:35 GMT 2025 , Edited by admin on Mon Mar 31 23:30:35 GMT 2025

PRIMARY

CAS

86604-07-1

Created by admin on Mon Mar 31 23:30:35 GMT 2025 , Edited by admin on Mon Mar 31 23:30:35 GMT 2025

PRIMARY

ECHA (EC/EINECS)

282-823-7

Created by admin on Mon Mar 31 23:30:35 GMT 2025 , Edited by admin on Mon Mar 31 23:30:35 GMT 2025

PRIMARY

Related Record Type Details


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4-tert-Butylcinnamaldehyde, (Z)-

DIASTEREOISOMER -> DIASTEREOISOMER

Amount: