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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14O4
Molecular Weight 222.2372
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONOISOBUTYL PHTHALATE

SMILES

CC(C)COC(=O)C1=CC=CC=C1C(O)=O

InChI

InChIKey=RZJSUWQGFCHNFS-UHFFFAOYSA-N
InChI=1S/C12H14O4/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C12H14O4
Molecular Weight 222.2372
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 22:53:18 GMT 2025
Edited
by admin
on Mon Mar 31 22:53:18 GMT 2025
Record UNII
K66VV25BGK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONOISOBUTYL PHTHALATE
Common Name English
3-09-00-04104 (BEILSTEIN HANDBOOK REFERENCE)
Preferred Name English
1,2-BENZENEDICARBOXYLIC ACID, 1-(2-METHYLPROPYL) ESTER
Systematic Name English
ISOBUTYL HYDROGEN PHTHALATE
Systematic Name English
2-(2-METHYLPROPOXYCARBONYL)BENZOIC ACID
Systematic Name English
1,2-BENZENEDICARBOXYLIC ACID, MONO(2-METHYLPROPYL) ESTER
Systematic Name English
PHTHALIC ACID, MONOISOBUTYL ESTER
Systematic Name English
Code System Code Type Description
CAS
30833-53-5
Created by admin on Mon Mar 31 22:53:18 GMT 2025 , Edited by admin on Mon Mar 31 22:53:18 GMT 2025
PRIMARY
FDA UNII
K66VV25BGK
Created by admin on Mon Mar 31 22:53:18 GMT 2025 , Edited by admin on Mon Mar 31 22:53:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID5052701
Created by admin on Mon Mar 31 22:53:18 GMT 2025 , Edited by admin on Mon Mar 31 22:53:18 GMT 2025
PRIMARY
ECHA (EC/EINECS)
250-352-6
Created by admin on Mon Mar 31 22:53:18 GMT 2025 , Edited by admin on Mon Mar 31 22:53:18 GMT 2025
PRIMARY
PUBCHEM
92272
Created by admin on Mon Mar 31 22:53:18 GMT 2025 , Edited by admin on Mon Mar 31 22:53:18 GMT 2025
PRIMARY