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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 3-PHENYL PROPYL HEXANOATE

SMILES

CCCCCC(=O)OCCCC1=CC=CC=C1

InChI

InChIKey=RSOGLEKUVSFLMO-UHFFFAOYSA-N
InChI=1S/C15H22O2/c1-2-3-5-12-15(16)17-13-8-11-14-9-6-4-7-10-14/h4,6-7,9-10H,2-3,5,8,11-13H2,1H3

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 Fri Dec 15 19:06:28 GMT 2023
Edited
by admin
on Fri Dec 15 19:06:28 GMT 2023
Record UNII
Y50D757537
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-PHENYL PROPYL HEXANOATE
Common Name English
3-PHENYLPROPYL CAPROATE
Systematic Name English
3-PHENYLPROPYL HEXANOATE [FHFI]
Common Name English
FEMA NO. 2896
Code English
3-PHENYLPROPYL HEXANOATE
FHFI  
Systematic Name English
NSC-5984
Code English
HEXANOIC ACID, 3-PHENYLPROPYL ESTER
Common Name English
HYDROCINNAMYL HEXANOATE
Systematic Name English
NSC-404467
Code English
HYDROCINNAMYL CAPROATE
Systematic Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 19:06:28 GMT 2023 , Edited by admin on Fri Dec 15 19:06:28 GMT 2023
JECFA EVALUATION 3-PHENYLPROPYL HEXANOATE
Created by admin on Fri Dec 15 19:06:28 GMT 2023 , Edited by admin on Fri Dec 15 19:06:28 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
1121
Created by admin on Fri Dec 15 19:06:28 GMT 2023 , Edited by admin on Fri Dec 15 19:06:28 GMT 2023
PRIMARY
NSC
5984
Created by admin on Fri Dec 15 19:06:28 GMT 2023 , Edited by admin on Fri Dec 15 19:06:28 GMT 2023
PRIMARY
FDA UNII
Y50D757537
Created by admin on Fri Dec 15 19:06:28 GMT 2023 , Edited by admin on Fri Dec 15 19:06:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID70211909
Created by admin on Fri Dec 15 19:06:28 GMT 2023 , Edited by admin on Fri Dec 15 19:06:28 GMT 2023
PRIMARY
CAS
6281-40-9
Created by admin on Fri Dec 15 19:06:28 GMT 2023 , Edited by admin on Fri Dec 15 19:06:28 GMT 2023
PRIMARY
PUBCHEM
221417
Created by admin on Fri Dec 15 19:06:28 GMT 2023 , Edited by admin on Fri Dec 15 19:06:28 GMT 2023
PRIMARY
ECHA (EC/EINECS)
228-490-3
Created by admin on Fri Dec 15 19:06:28 GMT 2023 , Edited by admin on Fri Dec 15 19:06:28 GMT 2023
PRIMARY
NSC
404467
Created by admin on Fri Dec 15 19:06:28 GMT 2023 , Edited by admin on Fri Dec 15 19:06:28 GMT 2023
PRIMARY