3,4-Xylenol, 6-tert-butyl-

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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 3,4-Xylenol, 6-tert-butyl-

Structure Search

SMILES

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

InChI

InChIKey=GDGFDAKCWRGGHW-UHFFFAOYSA-N

InChI=1S/C12H18O/c1-8-6-10(12(3,4)5)11(13)7-9(8)2/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 `Sat Dec 16 20:02:13 GMT 2023` Edited by `admin` on `Sat Dec 16 20:02:13 GMT 2023`
Record UNII	46RP8EDN7J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4-Xylenol, 6-tert-butyl-

Systematic Name

English

2-tert-Butyl-4,5-xylenol

Systematic Name

English

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

Systematic Name

English

2-tert-Butyl-4,5-dimethylphenol

Common Name

English

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

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

215-891-3

Created by admin on Sat Dec 16 20:02:13 GMT 2023 , Edited by admin on Sat Dec 16 20:02:13 GMT 2023

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CAS

1445-23-4

Created by admin on Sat Dec 16 20:02:13 GMT 2023 , Edited by admin on Sat Dec 16 20:02:13 GMT 2023

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FDA UNII

46RP8EDN7J

Created by admin on Sat Dec 16 20:02:13 GMT 2023 , Edited by admin on Sat Dec 16 20:02:13 GMT 2023

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PUBCHEM

74048

Created by admin on Sat Dec 16 20:02:13 GMT 2023 , Edited by admin on Sat Dec 16 20:02:13 GMT 2023

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EPA CompTox

DTXSID00162733

Created by admin on Sat Dec 16 20:02:13 GMT 2023 , Edited by admin on Sat Dec 16 20:02:13 GMT 2023

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