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Details

Stereochemistry ACHIRAL
Molecular Formula C16H22O4
Molecular Weight 278.3435
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTYL HYDROGEN PHTHALATE

SMILES

CCCCCCCCOC(=O)C1=C(C=CC=C1)C(O)=O

InChI

InChIKey=PKIYFBICNICNGJ-UHFFFAOYSA-N
InChI=1S/C16H22O4/c1-2-3-4-5-6-9-12-20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C16H22O4
Molecular Weight 278.3435
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 12:31:25 GMT 2023
Edited
by admin
on Sat Dec 16 12:31:25 GMT 2023
Record UNII
9KSH93UAM4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTYL HYDROGEN PHTHALATE
Systematic Name English
MONOOCTYL PHTHALATE
Common Name English
PHTHALIC ACID, MONOOCTYL ESTER
Common Name English
1,2-BENZENEDICARBOXYLIC ACID, 1-OCTYL ESTER
Systematic Name English
1,2-BENZENEDICARBOXYLIC ACID, MONOOCTYL ESTER
Systematic Name English
NSC-4639
Code English
HYDROGEN OCTYL PHTHALATE
Systematic Name English
PHTHALIC ACID, OCTYL ESTER
Common Name English
MONO-N-OCTYL PHTHALATE
Systematic Name English
Code System Code Type Description
CAS
5393-19-1
Created by admin on Sat Dec 16 12:31:25 GMT 2023 , Edited by admin on Sat Dec 16 12:31:25 GMT 2023
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NSC
4639
Created by admin on Sat Dec 16 12:31:25 GMT 2023 , Edited by admin on Sat Dec 16 12:31:25 GMT 2023
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CHEBI
132583
Created by admin on Sat Dec 16 12:31:25 GMT 2023 , Edited by admin on Sat Dec 16 12:31:25 GMT 2023
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FDA UNII
9KSH93UAM4
Created by admin on Sat Dec 16 12:31:25 GMT 2023 , Edited by admin on Sat Dec 16 12:31:25 GMT 2023
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PUBCHEM
79362
Created by admin on Sat Dec 16 12:31:25 GMT 2023 , Edited by admin on Sat Dec 16 12:31:25 GMT 2023
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ECHA (EC/EINECS)
226-398-8
Created by admin on Sat Dec 16 12:31:25 GMT 2023 , Edited by admin on Sat Dec 16 12:31:25 GMT 2023
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EPA CompTox
DTXSID4052714
Created by admin on Sat Dec 16 12:31:25 GMT 2023 , Edited by admin on Sat Dec 16 12:31:25 GMT 2023
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