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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=CC=CC=C1C(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

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:50:52 UTC 2023
Edited
by admin
on Sat Dec 16 07:50:52 UTC 2023
Record UNII
ZI46LWZ45G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Monobutyl phthalate
Systematic 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
NSC-8479
Code 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 Sat Dec 16 07:50:52 UTC 2023 , Edited by admin on Sat Dec 16 07:50:52 UTC 2023
PRIMARY
FDA UNII
ZI46LWZ45G
Created by admin on Sat Dec 16 07:50:52 UTC 2023 , Edited by admin on Sat Dec 16 07:50:52 UTC 2023
PRIMARY
WIKIPEDIA
Monobutyl phthalate
Created by admin on Sat Dec 16 07:50:52 UTC 2023 , Edited by admin on Sat Dec 16 07:50:52 UTC 2023
PRIMARY
NSC
8479
Created by admin on Sat Dec 16 07:50:52 UTC 2023 , Edited by admin on Sat Dec 16 07:50:52 UTC 2023
PRIMARY
MESH
C028577
Created by admin on Sat Dec 16 07:50:52 UTC 2023 , Edited by admin on Sat Dec 16 07:50:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID4040002
Created by admin on Sat Dec 16 07:50:52 UTC 2023 , Edited by admin on Sat Dec 16 07:50:52 UTC 2023
PRIMARY
CAS
131-70-4
Created by admin on Sat Dec 16 07:50:52 UTC 2023 , Edited by admin on Sat Dec 16 07:50:52 UTC 2023
PRIMARY
PUBCHEM
8575
Created by admin on Sat Dec 16 07:50:52 UTC 2023 , Edited by admin on Sat Dec 16 07:50:52 UTC 2023
PRIMARY
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