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Details

Stereochemistry ACHIRAL
Molecular Formula C16H26O
Molecular Weight 234.377
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,6-Bis(1,1-dimethylethyl)-2,3-dimethylphenol

SMILES

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

InChI

InChIKey=YYJBEOVFNCROQM-UHFFFAOYSA-N
InChI=1S/C16H26O/c1-10-11(2)14(17)13(16(6,7)8)9-12(10)15(3,4)5/h9,17H,1-8H3

HIDE SMILES / InChI

Molecular Formula C16H26O
Molecular Weight 234.377
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 Wed Apr 02 16:57:37 GMT 2025
Edited
by admin
on Wed Apr 02 16:57:37 GMT 2025
Record UNII
H8X3U95SYN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-
Preferred Name English
4,6-Bis(1,1-dimethylethyl)-2,3-dimethylphenol
Systematic Name English
4,6-Di-tert-butyl-2,3-dimethylphenol
Systematic Name English
2,3-Xylenol, 4,6-di-tert-butyl-
Systematic Name English
4,6-Di-tert-butyl-2,3-xylenol
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID4072152
Created by admin on Wed Apr 02 16:57:37 GMT 2025 , Edited by admin on Wed Apr 02 16:57:37 GMT 2025
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FDA UNII
H8X3U95SYN
Created by admin on Wed Apr 02 16:57:37 GMT 2025 , Edited by admin on Wed Apr 02 16:57:37 GMT 2025
PRIMARY
ECHA (EC/EINECS)
274-857-6
Created by admin on Wed Apr 02 16:57:37 GMT 2025 , Edited by admin on Wed Apr 02 16:57:37 GMT 2025
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CAS
70766-54-0
Created by admin on Wed Apr 02 16:57:37 GMT 2025 , Edited by admin on Wed Apr 02 16:57:37 GMT 2025
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PUBCHEM
116870
Created by admin on Wed Apr 02 16:57:37 GMT 2025 , Edited by admin on Wed Apr 02 16:57:37 GMT 2025
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