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Details

Stereochemistry ACHIRAL
Molecular Formula C15H22O2
Molecular Weight 234.334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phenethyl heptanoate

SMILES

CCCCCCC(=O)OCCC1=CC=CC=C1

InChI

InChIKey=YMPDQHXHLKFWNN-UHFFFAOYSA-N
InChI=1S/C15H22O2/c1-2-3-4-8-11-15(16)17-13-12-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H22O2
Molecular Weight 234.334
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 Sat Dec 16 18:35:40 GMT 2023
Edited
by admin
on Sat Dec 16 18:35:40 GMT 2023
Record UNII
8WU2547VZA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenethyl heptanoate
Systematic Name English
NSC-23063
Code English
2-PHENYLETHYL HEPTANOATE
Systematic Name English
Heptanoic acid, 2-phenylethyl ester
Common Name English
Phenethyl alcohol, heptanoate
Common Name English
Code System Code Type Description
PUBCHEM
79552
Created by admin on Sat Dec 16 18:35:40 GMT 2023 , Edited by admin on Sat Dec 16 18:35:40 GMT 2023
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EPA CompTox
DTXSID9063904
Created by admin on Sat Dec 16 18:35:40 GMT 2023 , Edited by admin on Sat Dec 16 18:35:40 GMT 2023
PRIMARY
CAS
5454-11-5
Created by admin on Sat Dec 16 18:35:40 GMT 2023 , Edited by admin on Sat Dec 16 18:35:40 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-701-3
Created by admin on Sat Dec 16 18:35:40 GMT 2023 , Edited by admin on Sat Dec 16 18:35:40 GMT 2023
PRIMARY
FDA UNII
8WU2547VZA
Created by admin on Sat Dec 16 18:35:40 GMT 2023 , Edited by admin on Sat Dec 16 18:35:40 GMT 2023
PRIMARY
NSC
23063
Created by admin on Sat Dec 16 18:35:40 GMT 2023 , Edited by admin on Sat Dec 16 18:35:40 GMT 2023
PRIMARY