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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

COC(=O)CC1=CC=C(C=C1)C(C)(C)C

InChI

InChIKey=HXVTYMWVMVKVTF-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL P-TERT-BUTYLPHENYLACETATE
FHFI  
Common Name English
FEMA NO. 2690
Preferred Name English
BENZENEACETIC ACID, 4-(1,1-DIMETHYLETHYL)-, METHYL ESTER
Common Name English
(4-TERT-BUTYLPHENYL)ACETIC ACID METHYL ESTER
Systematic Name English
METHYL 4-TERT-BUTYLBENZENEACETATE
Systematic Name English
METHYL P-TERT-BUTYLPHENYLACETATE [FHFI]
Common Name English
ACETIC ACID, (P-TERT-BUTYLPHENYL)-, METHYL ESTER
Common Name English
METHYL 4-TERT-BUTYLPHENYLACETATE
Systematic Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025
Code System Code Type Description
SMS_ID
100000174533
Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025
PRIMARY
ECHA (EC/EINECS)
222-602-4
Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025
PRIMARY
JECFA MONOGRAPH
958
Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025
PRIMARY
FDA UNII
8A4H5QO9OJ
Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025
PRIMARY
PUBCHEM
605629
Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025
PRIMARY
CAS
3549-23-3
Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID0063070
Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025
PRIMARY