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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19ClO
Molecular Weight 226.742
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-TERT-BUTYL-3-(CHLOROMETHYL)-2,4-DIMETHYLPHENOL

SMILES

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

InChI

InChIKey=WODZSHMAILHEGD-UHFFFAOYSA-N
InChI=1S/C13H19ClO/c1-8-6-11(13(3,4)5)12(15)9(2)10(8)7-14/h6,15H,7H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C13H19ClO
Molecular Weight 226.742
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:20:31 GMT 2023
Edited
by admin
on Fri Dec 15 16:20:31 GMT 2023
Record UNII
UBT89ISP7L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-TERT-BUTYL-3-(CHLOROMETHYL)-2,4-DIMETHYLPHENOL
Systematic Name English
3-(CHLOROMETHYL)-6-(1,1-DIMETHYLETHYL)-2,4-DIMETHYLPHENOL
Systematic Name English
PHENOL, 3-(CHLOROMETHYL)-6-(1,1-DIMETHYLETHYL)-2,4-DIMETHYL-
Systematic Name English
PHENOL, 6-TERT-BUTYL-3-(CHLOROMETHYL)-2,4-DIMETHYL-
Systematic Name English
6-TERT-BUTYL-3-(CHLOROMETHYL)-2,4-XYLENOL
Systematic Name English
6-TERT-BUTYL-3-CHLOROMETHYL-2,4-DIMETHYLPHENOL
Systematic Name English
4-TERT-BUTYL-3-HYDROXY-2,6-DIMETHYLBENZYL CHLORIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID3027827
Created by admin on Fri Dec 15 16:20:31 GMT 2023 , Edited by admin on Fri Dec 15 16:20:31 GMT 2023
PRIMARY
CAS
23500-79-0
Created by admin on Fri Dec 15 16:20:31 GMT 2023 , Edited by admin on Fri Dec 15 16:20:31 GMT 2023
PRIMARY
PUBCHEM
90131
Created by admin on Fri Dec 15 16:20:31 GMT 2023 , Edited by admin on Fri Dec 15 16:20:31 GMT 2023
PRIMARY
FDA UNII
UBT89ISP7L
Created by admin on Fri Dec 15 16:20:31 GMT 2023 , Edited by admin on Fri Dec 15 16:20:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
245-697-4
Created by admin on Fri Dec 15 16:20:31 GMT 2023 , Edited by admin on Fri Dec 15 16:20:31 GMT 2023
PRIMARY