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Details

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

SHOW SMILES / InChI
Structure of 1-Phenyl-2-propanol acetate

SMILES

CC(CC1=CC=CC=C1)OC(C)=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C11H14O2
Molecular Weight 178.2277
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:26:54 GMT 2025
Edited
by admin
on Mon Mar 31 22:26:54 GMT 2025
Record UNII
X6UW5YA3X6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Phenyl-2-propanol acetate
Systematic Name English
NSC-30160
Preferred Name English
Benzeneethanol, ?-methyl-, 1-acetate
Systematic Name English
Code System Code Type Description
CAS
2114-33-2
Created by admin on Mon Mar 31 22:26:54 GMT 2025 , Edited by admin on Mon Mar 31 22:26:54 GMT 2025
PRIMARY
FDA UNII
X6UW5YA3X6
Created by admin on Mon Mar 31 22:26:54 GMT 2025 , Edited by admin on Mon Mar 31 22:26:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID30862835
Created by admin on Mon Mar 31 22:26:54 GMT 2025 , Edited by admin on Mon Mar 31 22:26:54 GMT 2025
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NSC
30160
Created by admin on Mon Mar 31 22:26:54 GMT 2025 , Edited by admin on Mon Mar 31 22:26:54 GMT 2025
PRIMARY
ECHA (EC/EINECS)
218-314-3
Created by admin on Mon Mar 31 22:26:54 GMT 2025 , Edited by admin on Mon Mar 31 22:26:54 GMT 2025
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PUBCHEM
16457
Created by admin on Mon Mar 31 22:26:54 GMT 2025 , Edited by admin on Mon Mar 31 22:26:54 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE