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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O2
Molecular Weight 178.2277
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TERT-BUTYL BENZOATE

SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1

InChI

InChIKey=LYDRKKWPKKEMNZ-UHFFFAOYSA-N
InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
TERT-BUTYL BENZOATE
Common Name English
1,1-DIMETHYLETHYL BENZOATE
Systematic Name English
NSC-42534
Code English
2-BENZOYLOXY-2-METHYLPROPANE
Systematic Name English
TRIMETHYLCARBINOL BENZOATE
Systematic Name English
BENZOIC ACID, 1,1-DIMETHYLETHYL ESTER
Systematic Name English
Code System Code Type Description
NSC
42534
Created by admin on Sat Dec 16 12:27:26 GMT 2023 , Edited by admin on Sat Dec 16 12:27:26 GMT 2023
PRIMARY
PUBCHEM
69886
Created by admin on Sat Dec 16 12:27:26 GMT 2023 , Edited by admin on Sat Dec 16 12:27:26 GMT 2023
PRIMARY
CHEBI
34034
Created by admin on Sat Dec 16 12:27:26 GMT 2023 , Edited by admin on Sat Dec 16 12:27:26 GMT 2023
PRIMARY
FDA UNII
ZWY8SFF36W
Created by admin on Sat Dec 16 12:27:26 GMT 2023 , Edited by admin on Sat Dec 16 12:27:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID50228111
Created by admin on Sat Dec 16 12:27:26 GMT 2023 , Edited by admin on Sat Dec 16 12:27:26 GMT 2023
PRIMARY
ECHA (EC/EINECS)
212-267-2
Created by admin on Sat Dec 16 12:27:26 GMT 2023 , Edited by admin on Sat Dec 16 12:27:26 GMT 2023
PRIMARY
CAS
774-65-2
Created by admin on Sat Dec 16 12:27:26 GMT 2023 , Edited by admin on Sat Dec 16 12:27:26 GMT 2023
PRIMARY