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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H32O3
Molecular Weight 368.5091
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C[C@@H](C)CC)C=C2

InChI

InChIKey=GRCRRVLEAGHZGB-IBGZPJMESA-N
InChI=1S/C24H32O3/c1-4-6-7-8-17-26-22-15-11-21(12-16-22)24(25)27-23-13-9-20(10-14-23)18-19(3)5-2/h9-16,19H,4-8,17-18H2,1-3H3/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H32O3
Molecular Weight 368.5091
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
C0LRL526N9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYLBUTYLPHENYL HEXYLOXYBENZOATE, (2S)-
Common Name English
METHYLBUTYLPHENYL HEXYLOXYBENZOATE
INCI  
INCI  
Preferred Name English
(S)-CE 4
Brand Name English
BENZOIC ACID, 4-(HEXYLOXY)-, 4-(2-METHYLBUTYL)PHENYL ESTER, (S)-
Common Name English
BENZOIC ACID, 4-(HEXYLOXY)-, ((2S)-2-METHYLBUTYL)PHENYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70887668
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
ECHA (EC/EINECS)
274-112-5
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
69777-59-9
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
21118871
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
C0LRL526N9
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