1,4-DI-TERT-BUTYLBENZENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H22
Molecular Weight	190.3245
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,4-DI-TERT-BUTYLBENZENE

Structure Search

SMILES

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

InChI

InChIKey=OOWNNCMFKFBNOF-UHFFFAOYSA-N

InChI=1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3

HIDE SMILES / InChI

Molecular Formula	C14H22
Molecular Weight	190.3245
Charge	0
Count

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

Approval Year

PubMed

PubMed

Title	Date	PubMed
Thermochemistry of ionic liquid-catalyzed reactions. experimental and theoretical study of chemical equilibria of isomerization and transalkylation of tert-butylbenzenes.	2008-11-06	18844336

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:58:15 GMT 2025` Edited by `admin` on `Mon Mar 31 19:58:15 GMT 2025`
Record UNII	55PTX4KH71
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,4-DI-TERT-BUTYLBENZENE

Systematic Name

English

NSC-6342

Preferred Name

English

BIS(1,1-DIMETHYLETHYL)BENZENE

Systematic Name

English

DI-TERT-BUTYLBENZENE, P-

Common Name

English

Code System Code Type Description

CAS

1012-72-2

Created by admin on Mon Mar 31 19:58:15 GMT 2025 , Edited by admin on Mon Mar 31 19:58:15 GMT 2025

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FDA UNII

55PTX4KH71

Created by admin on Mon Mar 31 19:58:15 GMT 2025 , Edited by admin on Mon Mar 31 19:58:15 GMT 2025

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PUBCHEM

13895

Created by admin on Mon Mar 31 19:58:15 GMT 2025 , Edited by admin on Mon Mar 31 19:58:15 GMT 2025

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ECHA (EC/EINECS)

213-790-9

Created by admin on Mon Mar 31 19:58:15 GMT 2025 , Edited by admin on Mon Mar 31 19:58:15 GMT 2025

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NSC

6342

Created by admin on Mon Mar 31 19:58:15 GMT 2025 , Edited by admin on Mon Mar 31 19:58:15 GMT 2025

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EPA CompTox

DTXSID4061410

Created by admin on Mon Mar 31 19:58:15 GMT 2025 , Edited by admin on Mon Mar 31 19:58:15 GMT 2025

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