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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26O2
Molecular Weight 310.4299
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C[C@@H](C)CC)C=C2

InChI

InChIKey=ZBKMFXVASLCFKC-INIZCTEOSA-N
InChI=1S/C21H26O2/c1-4-6-17-7-11-19(12-8-17)21(22)23-20-13-9-18(10-14-20)15-16(3)5-2/h7-14,16H,4-6,15H2,1-3H3/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H26O2
Molecular Weight 310.4299
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 21:01:56 GMT 2025
Edited
by admin
on Mon Mar 31 21:01:56 GMT 2025
Record UNII
VJX826QN15
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYLBUTYLPHENYL PROPYLBENZOATE, (2S)-
Common Name English
METHYLBUTYLPHENYL PROPYLBENZOATE
INCI  
INCI  
Preferred Name English
BENZOIC ACID, 4-PROPYL-, 4-((2S)-2-METHYLBUTYL)PHENYL ESTER
Common Name English
BENZOIC ACID, 4-PROPYL-, 4-(2-METHYLBUTYL)PHENYL ESTER, (S)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20888741
Created by admin on Mon Mar 31 21:01:56 GMT 2025 , Edited by admin on Mon Mar 31 21:01:56 GMT 2025
PRIMARY
FDA UNII
VJX826QN15
Created by admin on Mon Mar 31 21:01:56 GMT 2025 , Edited by admin on Mon Mar 31 21:01:56 GMT 2025
PRIMARY
ECHA (EC/EINECS)
305-343-2
Created by admin on Mon Mar 31 21:01:56 GMT 2025 , Edited by admin on Mon Mar 31 21:01:56 GMT 2025
PRIMARY
CAS
94442-17-8
Created by admin on Mon Mar 31 21:01:56 GMT 2025 , Edited by admin on Mon Mar 31 21:01:56 GMT 2025
PRIMARY
PUBCHEM
175614
Created by admin on Mon Mar 31 21:01:56 GMT 2025 , Edited by admin on Mon Mar 31 21:01:56 GMT 2025
PRIMARY