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Details

Stereochemistry ACHIRAL
Molecular Formula C18H28O3
Molecular Weight 292.4131
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2,4-Di-tert-pentylphenoxy)acetic acid

SMILES

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

InChI

InChIKey=QXQMENSTZKYZCE-UHFFFAOYSA-N
InChI=1S/C18H28O3/c1-7-17(3,4)13-9-10-15(21-12-16(19)20)14(11-13)18(5,6)8-2/h9-11H,7-8,12H2,1-6H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C18H28O3
Molecular Weight 292.4131
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 11:59:39 GMT 2023
Edited
by admin
on Sat Dec 16 11:59:39 GMT 2023
Record UNII
LN67S5JT3X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2,4-Di-tert-pentylphenoxy)acetic acid
Systematic Name English
Acetic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
Systematic Name English
Acetic acid, [2,4-bis(1,1-dimethylpropyl)phenoxy]-
Common Name English
2,4-Bis(1,1-dimethylpropyl)phenoxyacetic acid
Systematic Name English
2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetic acid
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
236-494-1
Created by admin on Sat Dec 16 11:59:39 GMT 2023 , Edited by admin on Sat Dec 16 11:59:39 GMT 2023
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EPA CompTox
DTXSID5065435
Created by admin on Sat Dec 16 11:59:39 GMT 2023 , Edited by admin on Sat Dec 16 11:59:39 GMT 2023
PRIMARY
FDA UNII
LN67S5JT3X
Created by admin on Sat Dec 16 11:59:39 GMT 2023 , Edited by admin on Sat Dec 16 11:59:39 GMT 2023
PRIMARY
PUBCHEM
83411
Created by admin on Sat Dec 16 11:59:39 GMT 2023 , Edited by admin on Sat Dec 16 11:59:39 GMT 2023
PRIMARY
CAS
13402-96-5
Created by admin on Sat Dec 16 11:59:39 GMT 2023 , Edited by admin on Sat Dec 16 11:59:39 GMT 2023
PRIMARY