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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-3-METHYLANISOLE

SMILES

COC1=CC=C(C(C)=C1)C(C)(C)C

InChI

InChIKey=ZNQXIHJPCUGNJF-UHFFFAOYSA-N
InChI=1S/C12H18O/c1-9-8-10(13-5)6-7-11(9)12(2,3)4/h6-8H,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 17:48:31 GMT 2025
Edited
by admin
on Tue Apr 01 17:48:31 GMT 2025
Record UNII
FW69Q2PJ6W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-TERT-BUTYL-3-METHYLANISOLE
Systematic Name English
4-T-BUTYL-3-METHYLANISOLE
Preferred Name English
1-TERT-BUTYL-4-METHOXY-2-METHYLBENZENE
Systematic Name English
1-(1,1-DIMETHYLETHYL)-4-METHOXY-2-METHYLBENZENE
Systematic Name English
BENZENE, 1-(1,1-DIMETHYLETHYL)-4-METHOXY-2-METHYL-
Systematic Name English
ANISOLE, 4-TERT-BUTYL-3-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID8067606
Created by admin on Tue Apr 01 17:48:31 GMT 2025 , Edited by admin on Tue Apr 01 17:48:31 GMT 2025
PRIMARY
ECHA (EC/EINECS)
250-541-3
Created by admin on Tue Apr 01 17:48:31 GMT 2025 , Edited by admin on Tue Apr 01 17:48:31 GMT 2025
PRIMARY
FDA UNII
FW69Q2PJ6W
Created by admin on Tue Apr 01 17:48:31 GMT 2025 , Edited by admin on Tue Apr 01 17:48:31 GMT 2025
PRIMARY
PUBCHEM
161700
Created by admin on Tue Apr 01 17:48:31 GMT 2025 , Edited by admin on Tue Apr 01 17:48:31 GMT 2025
PRIMARY
CAS
31268-79-8
Created by admin on Tue Apr 01 17:48:31 GMT 2025 , Edited by admin on Tue Apr 01 17:48:31 GMT 2025
PRIMARY