U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C31H40O3
Molecular Weight 460.6475
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-BIS(4-METHYL-6-TERT-BUTYL-SALICYL)-4-METHYLPHENOL

SMILES

CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(CC3=CC(C)=CC(=C3O)C(C)(C)C)=C1

InChI

InChIKey=LKALLEFLBKHPTQ-UHFFFAOYSA-N
InChI=1S/C31H40O3/c1-18-10-21(16-23-12-19(2)14-25(28(23)33)30(4,5)6)27(32)22(11-18)17-24-13-20(3)15-26(29(24)34)31(7,8)9/h10-15,32-34H,16-17H2,1-9H3

HIDE SMILES / InChI

Molecular Formula C31H40O3
Molecular Weight 460.6475
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 12:24:04 GMT 2023
Edited
by admin
on Sat Dec 16 12:24:04 GMT 2023
Record UNII
K720MI5DT8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-BIS(4-METHYL-6-TERT-BUTYL-SALICYL)-4-METHYLPHENOL
Systematic Name English
4-METHYL-2,6-BIS(3-TERT-BUTYL-5-METHYL-2-HYDROXYBENZYL)PHENOL
Systematic Name English
MESITOL, .ALPHA.2,.ALPHA.6-BIS(5-TERT-BUTYL-6-HYDROXY-M-TOLYL)-
Systematic Name English
2,6-BIS((3-(1,1-DIMETHYLETHYL)-2-HYDROXY-5-METHYLPHENYL)METHYL)-4-METHYLPHENOL
Systematic Name English
NSC-62914
Code English
NSC-67516
Code English
2,6-BIS(2-HYDROXY-3-TERT-BUTYL-5-METHYLBENZYL)-4-METHYLPHENOL
Systematic Name English
PHENOL, 2,6-BIS((3-(1,1-DIMETHYLETHYL)-2-HYDROXY-5-METHYLPHENYL)METHYL)-4-METHYL-
Systematic Name English
2,6-BIS(3-TERT-BUTYL-2-HYDROXY-5-METHYLBENZYL)-4-METHYLPHENOL
Systematic Name English
2,6-BIS(3-TERT-BUTYL-5-METHYL-2-HYDROXYBENZYL)-4-METHYLPHENOL
Systematic Name English
2,6-BIS(2-HYDROXY-3-TERT-BUTYL-5-METHYLBENZYL)-P-CRESOL
Systematic Name English
4-METHYL-2,6-BIS(2-HYDROXY-3-TERT-BUTYL-5-METHYLBENZYL)PHENOL
Systematic Name English
Code System Code Type Description
NSC
67516
Created by admin on Sat Dec 16 12:24:04 GMT 2023 , Edited by admin on Sat Dec 16 12:24:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID2059013
Created by admin on Sat Dec 16 12:24:04 GMT 2023 , Edited by admin on Sat Dec 16 12:24:04 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-011-8
Created by admin on Sat Dec 16 12:24:04 GMT 2023 , Edited by admin on Sat Dec 16 12:24:04 GMT 2023
PRIMARY
CAS
90-68-6
Created by admin on Sat Dec 16 12:24:04 GMT 2023 , Edited by admin on Sat Dec 16 12:24:04 GMT 2023
PRIMARY
FDA UNII
K720MI5DT8
Created by admin on Sat Dec 16 12:24:04 GMT 2023 , Edited by admin on Sat Dec 16 12:24:04 GMT 2023
PRIMARY
NSC
62914
Created by admin on Sat Dec 16 12:24:04 GMT 2023 , Edited by admin on Sat Dec 16 12:24:04 GMT 2023
PRIMARY
PUBCHEM
66662
Created by admin on Sat Dec 16 12:24:04 GMT 2023 , Edited by admin on Sat Dec 16 12:24:04 GMT 2023
PRIMARY