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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 Monobutyl phthalate

SMILES

CCCCOC(=O)C1=C(C=CC=C1)C(O)=O

InChI

InChIKey=YZBOVSFWWNVKRJ-UHFFFAOYSA-N
InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(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

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:43:53 GMT 2025
Edited
by admin
on Mon Mar 31 21:43:53 GMT 2025
Record UNII
ZI46LWZ45G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Monobutyl phthalate
Systematic Name English
NSC-8479
Preferred Name English
Butyl hydrogen phthalate
Systematic Name English
Phthalic acid, monobutyl ester
Systematic Name English
1,2-Benzenedicarboxylic acid, 1-butyl ester
Systematic Name English
Phthalic acid, butyl ester
Systematic Name English
Mono-n-butyl phthalate
Common Name English
1,2-Benzenedicarboxylic acid, monobutyl ester
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
205-036-2
Created by admin on Mon Mar 31 21:43:53 GMT 2025 , Edited by admin on Mon Mar 31 21:43:53 GMT 2025
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FDA UNII
ZI46LWZ45G
Created by admin on Mon Mar 31 21:43:53 GMT 2025 , Edited by admin on Mon Mar 31 21:43:53 GMT 2025
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WIKIPEDIA
Monobutyl phthalate
Created by admin on Mon Mar 31 21:43:53 GMT 2025 , Edited by admin on Mon Mar 31 21:43:53 GMT 2025
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NSC
8479
Created by admin on Mon Mar 31 21:43:53 GMT 2025 , Edited by admin on Mon Mar 31 21:43:53 GMT 2025
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MESH
C028577
Created by admin on Mon Mar 31 21:43:53 GMT 2025 , Edited by admin on Mon Mar 31 21:43:53 GMT 2025
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EPA CompTox
DTXSID4040002
Created by admin on Mon Mar 31 21:43:53 GMT 2025 , Edited by admin on Mon Mar 31 21:43:53 GMT 2025
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CAS
131-70-4
Created by admin on Mon Mar 31 21:43:53 GMT 2025 , Edited by admin on Mon Mar 31 21:43:53 GMT 2025
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PUBCHEM
8575
Created by admin on Mon Mar 31 21:43:53 GMT 2025 , Edited by admin on Mon Mar 31 21:43:53 GMT 2025
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SMS_ID
300000053427
Created by admin on Mon Mar 31 21:43:53 GMT 2025 , Edited by admin on Mon Mar 31 21:43:53 GMT 2025
PRIMARY
Related Record Type Details
Structure of Copper dibutyl diphthalate
SALT/SOLVATE -> PARENT
Structure of 1,2-Benzenedicarboxylic acid, 1-butyl ester, ammonium salt
SALT/SOLVATE -> PARENT
NIH
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