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Details

Stereochemistry ACHIRAL
Molecular Formula C17H18O2
Molecular Weight 254.3236
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Phenylpropyl phenylacetate

SMILES

O=C(CC1=CC=CC=C1)OCCCC2=CC=CC=C2

InChI

InChIKey=KBXZBPLAQDTVAW-UHFFFAOYSA-N
InChI=1S/C17H18O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2

HIDE SMILES / InChI

Molecular Formula C17H18O2
Molecular Weight 254.3236
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:34:50 GMT 2025
Edited
by admin
on Tue Apr 01 19:34:50 GMT 2025
Record UNII
7LGA3DUX7W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Phenylpropyl phenylacetate
Systematic Name English
Benzeneacetic acid, 3-phenylpropyl ester
Preferred Name English
3-Phenylpropyl 2-phenylacetate
Systematic Name English
3-Phenylpropyl benzeneacetate
Systematic Name English
NSC-6688
Code English
Code System Code Type Description
EPA CompTox
DTXSID30153457
Created by admin on Tue Apr 01 19:34:50 GMT 2025 , Edited by admin on Tue Apr 01 19:34:50 GMT 2025
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NSC
6688
Created by admin on Tue Apr 01 19:34:50 GMT 2025 , Edited by admin on Tue Apr 01 19:34:50 GMT 2025
PRIMARY
CAS
122-44-1
Created by admin on Tue Apr 01 19:34:50 GMT 2025 , Edited by admin on Tue Apr 01 19:34:50 GMT 2025
PRIMARY
ECHA (EC/EINECS)
204-544-1
Created by admin on Tue Apr 01 19:34:50 GMT 2025 , Edited by admin on Tue Apr 01 19:34:50 GMT 2025
PRIMARY
FDA UNII
7LGA3DUX7W
Created by admin on Tue Apr 01 19:34:50 GMT 2025 , Edited by admin on Tue Apr 01 19:34:50 GMT 2025
PRIMARY
PUBCHEM
67148
Created by admin on Tue Apr 01 19:34:50 GMT 2025 , Edited by admin on Tue Apr 01 19:34:50 GMT 2025
PRIMARY