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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H36O3
Molecular Weight 396.5622
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLBUTYLPHENYL OCTYLOXYBENZOATE, (2S)-

SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C[C@@H](C)CC)C=C2

InChI

InChIKey=XSEXHHROOVDZBQ-NRFANRHFSA-N
InChI=1S/C26H36O3/c1-4-6-7-8-9-10-19-28-24-17-13-23(14-18-24)26(27)29-25-15-11-22(12-16-25)20-21(3)5-2/h11-18,21H,4-10,19-20H2,1-3H3/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H36O3
Molecular Weight 396.5622
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:54:43 GMT 2025
Edited
by admin
on Mon Mar 31 20:54:43 GMT 2025
Record UNII
PM117M1KUL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYLBUTYLPHENYL OCTYLOXYBENZOATE, (2S)-
Common Name English
METHYLBUTYLPHENYL OCTYLOXYBENZOATE
INCI  
INCI  
Preferred Name English
BENZOIC ACID, 4-(OCTYLOXY)-, 4-((2S)-2-METHYLBUTYL)PHENYL ESTER
Common Name English
BENZOIC ACID, 4-(OCTYLOXY)-, 4-(2-METHYLBUTYL)PHENYL ESTER, (S)-
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
274-113-0
Created by admin on Mon Mar 31 20:54:43 GMT 2025 , Edited by admin on Mon Mar 31 20:54:43 GMT 2025
PRIMARY
EPA CompTox
DTXSID30887669
Created by admin on Mon Mar 31 20:54:43 GMT 2025 , Edited by admin on Mon Mar 31 20:54:43 GMT 2025
PRIMARY
FDA UNII
PM117M1KUL
Created by admin on Mon Mar 31 20:54:43 GMT 2025 , Edited by admin on Mon Mar 31 20:54:43 GMT 2025
PRIMARY
PUBCHEM
21118872
Created by admin on Mon Mar 31 20:54:43 GMT 2025 , Edited by admin on Mon Mar 31 20:54:43 GMT 2025
PRIMARY
CAS
69777-61-3
Created by admin on Mon Mar 31 20:54:43 GMT 2025 , Edited by admin on Mon Mar 31 20:54:43 GMT 2025
PRIMARY