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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O2
Molecular Weight 192.2542
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL P-TERT-BUTYLBENZOATE

SMILES

COC(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChIKey=UPIJOAFHOIWPLT-UHFFFAOYSA-N
InChI=1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3

HIDE SMILES / InChI

Molecular Formula C12H16O2
Molecular Weight 192.2542
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 20:08:37 GMT 2023
Edited
by admin
on Sat Dec 16 20:08:37 GMT 2023
Record UNII
8VK4O27JMT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL P-TERT-BUTYLBENZOATE
Common Name English
METHYL 4-T-BUTYLBENZOATE
INCI  
INCI  
Official Name English
BENZOIC ACID, 4-(1,1-DIMETHYLETHYL)-, METHYL ESTER
Common Name English
METHYL 4-TERT-BUTYLBENZOATE
Systematic Name English
P-TERT-BUTYLBENZOIC ACID METHYL ESTER
Common Name English
NSC-122690
Code English
4-(1,1-DIMETHYLETHYL)BENZOIC ACID METHYL ESTER
Systematic Name English
METHYL 4-T-BUTYLBENZOATE [INCI]
Common Name English
METHYL 4-(1,1-DIMETHYLETHYL)BENZOATE
Systematic Name English
BENZOIC ACID, P-TERT-BUTYL-, METHYL ESTER
Common Name English
MBB
Brand Name English
Code System Code Type Description
ECHA (EC/EINECS)
247-768-5
Created by admin on Sat Dec 16 20:08:37 GMT 2023 , Edited by admin on Sat Dec 16 20:08:37 GMT 2023
PRIMARY
PUBCHEM
97433
Created by admin on Sat Dec 16 20:08:37 GMT 2023 , Edited by admin on Sat Dec 16 20:08:37 GMT 2023
PRIMARY
CAS
26537-19-9
Created by admin on Sat Dec 16 20:08:37 GMT 2023 , Edited by admin on Sat Dec 16 20:08:37 GMT 2023
PRIMARY
NSC
122690
Created by admin on Sat Dec 16 20:08:37 GMT 2023 , Edited by admin on Sat Dec 16 20:08:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID10885360
Created by admin on Sat Dec 16 20:08:37 GMT 2023 , Edited by admin on Sat Dec 16 20:08:37 GMT 2023
PRIMARY
FDA UNII
8VK4O27JMT
Created by admin on Sat Dec 16 20:08:37 GMT 2023 , Edited by admin on Sat Dec 16 20:08:37 GMT 2023
PRIMARY