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Details

Stereochemistry ACHIRAL
Molecular Formula C9H18O2
Molecular Weight 158.238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPYL HEXANOATE

SMILES

CCCCCC(=O)OCCC

InChI

InChIKey=HTUIWRWYYVBCFT-UHFFFAOYSA-N
InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H18O2
Molecular Weight 158.238
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Characterization of the aromatic profile in aqueous essence and fruit juice of yellow passion fruit (Passiflora edulis Sims F. Flavicarpa degner) by GC-MS and GC/O.
2002 Mar 13
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:47:56 GMT 2023
Edited
by admin
on Fri Dec 15 18:47:56 GMT 2023
Record UNII
30A840S94U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPYL HEXANOATE
Systematic Name English
N-PROPYL HEXANOATE [FHFI]
Common Name English
HEXANOIC ACID, PROPYL ESTER
Common Name English
1-PROPYL N-CAPROATE
Common Name English
NSC-53784
Code English
FEMA NO. 2949
Code English
PROPYL CAPROATE
Systematic Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:47:56 GMT 2023 , Edited by admin on Fri Dec 15 18:47:56 GMT 2023
JECFA EVALUATION PROPYL HEXANOATE
Created by admin on Fri Dec 15 18:47:56 GMT 2023 , Edited by admin on Fri Dec 15 18:47:56 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
210-963-0
Created by admin on Fri Dec 15 18:47:56 GMT 2023 , Edited by admin on Fri Dec 15 18:47:56 GMT 2023
PRIMARY
CHEBI
87365
Created by admin on Fri Dec 15 18:47:56 GMT 2023 , Edited by admin on Fri Dec 15 18:47:56 GMT 2023
PRIMARY
WIKIPEDIA
Propyl hexanoate
Created by admin on Fri Dec 15 18:47:56 GMT 2023 , Edited by admin on Fri Dec 15 18:47:56 GMT 2023
PRIMARY
NSC
53784
Created by admin on Fri Dec 15 18:47:56 GMT 2023 , Edited by admin on Fri Dec 15 18:47:56 GMT 2023
PRIMARY
JECFA MONOGRAPH
231
Created by admin on Fri Dec 15 18:47:56 GMT 2023 , Edited by admin on Fri Dec 15 18:47:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID3060823
Created by admin on Fri Dec 15 18:47:56 GMT 2023 , Edited by admin on Fri Dec 15 18:47:56 GMT 2023
PRIMARY
CAS
626-77-7
Created by admin on Fri Dec 15 18:47:56 GMT 2023 , Edited by admin on Fri Dec 15 18:47:56 GMT 2023
PRIMARY
PUBCHEM
12293
Created by admin on Fri Dec 15 18:47:56 GMT 2023 , Edited by admin on Fri Dec 15 18:47:56 GMT 2023
PRIMARY
FDA UNII
30A840S94U
Created by admin on Fri Dec 15 18:47:56 GMT 2023 , Edited by admin on Fri Dec 15 18:47:56 GMT 2023
PRIMARY