4-tert-Butyl-2,5-xylenol

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H18O
Molecular Weight	178.2707
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-tert-Butyl-2,5-xylenol

Structure Search

SMILES

CC1=CC(=C(C)C=C1O)C(C)(C)C

InChI

InChIKey=ZSPDNAYHQYQUPC-UHFFFAOYSA-N

InChI=1S/C12H18O/c1-8-7-11(13)9(2)6-10(8)12(3,4)5/h6-7,13H,1-5H3

HIDE SMILES / InChI

Molecular Formula	C12H18O
Molecular Weight	178.2707
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 17:44:19 GMT 2025` Edited by `admin` on `Tue Apr 01 17:44:19 GMT 2025`
Record UNII	PQ5T58P9K8
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-tert-Butyl-2,5-xylenol

Systematic Name

English

Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-

Preferred Name

English

4-(1,1-Dimethylethyl)-2,5-dimethylphenol

Systematic Name

English

4-tert-Butyl-2,5-dimethylphenol

Systematic Name

English

Code System Code Type Description

PUBCHEM

87249

Created by admin on Tue Apr 01 17:44:19 GMT 2025 , Edited by admin on Tue Apr 01 17:44:19 GMT 2025

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ECHA (EC/EINECS)

241-696-8

Created by admin on Tue Apr 01 17:44:19 GMT 2025 , Edited by admin on Tue Apr 01 17:44:19 GMT 2025

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FDA UNII

PQ5T58P9K8

Created by admin on Tue Apr 01 17:44:19 GMT 2025 , Edited by admin on Tue Apr 01 17:44:19 GMT 2025

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EPA CompTox

DTXSID5066247

Created by admin on Tue Apr 01 17:44:19 GMT 2025 , Edited by admin on Tue Apr 01 17:44:19 GMT 2025

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CAS

17696-37-6

Created by admin on Tue Apr 01 17:44:19 GMT 2025 , Edited by admin on Tue Apr 01 17:44:19 GMT 2025

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