U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14O2
Molecular Weight 178.2277
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Phenyl-2-propanol acetate, (S)-

SMILES

C[C@@H](CC1=CC=CC=C1)OC(C)=O

InChI

InChIKey=LOHDWLZDQXQLJA-VIFPVBQESA-N
InChI=1S/C11H14O2/c1-9(13-10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H14O2
Molecular Weight 178.2277
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 Wed Apr 02 19:16:56 GMT 2025
Edited
by admin
on Wed Apr 02 19:16:56 GMT 2025
Record UNII
WS66XV5XXR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Phenyl-2-propanol acetate, (S)-
Systematic Name English
(S)-1-Phenyl-2-propanol acetate
Preferred Name English
Phenethyl alcohol, ?-methyl-, acetate, (+)-
Systematic Name English
Benzeneethanol, ?-methyl-, 1-acetate, (?S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
12423106
Created by admin on Wed Apr 02 19:16:56 GMT 2025 , Edited by admin on Wed Apr 02 19:16:56 GMT 2025
PRIMARY
CAS
29393-15-5
Created by admin on Wed Apr 02 19:16:56 GMT 2025 , Edited by admin on Wed Apr 02 19:16:56 GMT 2025
PRIMARY
FDA UNII
WS66XV5XXR
Created by admin on Wed Apr 02 19:16:56 GMT 2025 , Edited by admin on Wed Apr 02 19:16:56 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER