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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O3
Molecular Weight 208.2536
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYL P-ANISATE

SMILES

COC1=CC=C(C=C1)C(=O)OCC(C)C

InChI

InChIKey=HQYSDZUOGBUYJA-UHFFFAOYSA-N
InChI=1S/C12H16O3/c1-9(2)8-15-12(13)10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H16O3
Molecular Weight 208.2536
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 Mon Mar 31 22:54:52 GMT 2025
Edited
by admin
on Mon Mar 31 22:54:52 GMT 2025
Record UNII
CL196T405F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-67898
Preferred Name English
ISOBUTYL P-ANISATE
Common Name English
2-METHYLPROPYL 4-METHOXYBENZOATE
Systematic Name English
ISOBUTYL 4-METHOXYBENZOATE
Systematic Name English
ANISIC ACID, ISOBUTYL
Common Name English
ISOBUTYL P-METHOXYBENZOATE
Common Name English
P-METHOXYBENZOIC ACID ISOBUTYL ESTER
Common Name English
BENZOIC ACID, 4-METHOXY-, 2-METHYLPROPYL ESTER
Systematic Name English
P-ANISIC ACID, ISOBUTYL ESTER
Common Name English
Code System Code Type Description
CAS
27739-28-2
Created by admin on Mon Mar 31 22:54:52 GMT 2025 , Edited by admin on Mon Mar 31 22:54:52 GMT 2025
PRIMARY
NSC
67898
Created by admin on Mon Mar 31 22:54:52 GMT 2025 , Edited by admin on Mon Mar 31 22:54:52 GMT 2025
PRIMARY
FDA UNII
CL196T405F
Created by admin on Mon Mar 31 22:54:52 GMT 2025 , Edited by admin on Mon Mar 31 22:54:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID40950434
Created by admin on Mon Mar 31 22:54:52 GMT 2025 , Edited by admin on Mon Mar 31 22:54:52 GMT 2025
PRIMARY
PUBCHEM
96331
Created by admin on Mon Mar 31 22:54:52 GMT 2025 , Edited by admin on Mon Mar 31 22:54:52 GMT 2025
PRIMARY
ECHA (EC/EINECS)
248-632-8
Created by admin on Mon Mar 31 22:54:52 GMT 2025 , Edited by admin on Mon Mar 31 22:54:52 GMT 2025
PRIMARY