U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H28O2
Molecular Weight 228.3709
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEPTYL HEPTANOATE

SMILES

CCCCCCCOC(=O)CCCCCC

InChI

InChIKey=QOIIBPAJVWFEPE-UHFFFAOYSA-N
InChI=1S/C14H28O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h3-13H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H28O2
Molecular Weight 228.3709
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 18:10:35 GMT 2023
Edited
by admin
on Sat Dec 16 18:10:35 GMT 2023
Record UNII
BG2A3OKN56
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTYL HEPTANOATE
FHFI  
Systematic Name English
FEMA NO. 4341
Code English
HEPTYL HEPTANOATE [FHFI]
Common Name English
HEPTANOIC ACID, HEPTYL ESTER
Common Name English
1-HEPTYL HEPTANOATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80211450
Created by admin on Sat Dec 16 18:10:35 GMT 2023 , Edited by admin on Sat Dec 16 18:10:35 GMT 2023
PRIMARY
JECFA MONOGRAPH
1853
Created by admin on Sat Dec 16 18:10:35 GMT 2023 , Edited by admin on Sat Dec 16 18:10:35 GMT 2023
PRIMARY
FDA UNII
BG2A3OKN56
Created by admin on Sat Dec 16 18:10:35 GMT 2023 , Edited by admin on Sat Dec 16 18:10:35 GMT 2023
PRIMARY
PUBCHEM
69350
Created by admin on Sat Dec 16 18:10:35 GMT 2023 , Edited by admin on Sat Dec 16 18:10:35 GMT 2023
PRIMARY
CAS
624-09-9
Created by admin on Sat Dec 16 18:10:35 GMT 2023 , Edited by admin on Sat Dec 16 18:10:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-828-6
Created by admin on Sat Dec 16 18:10:35 GMT 2023 , Edited by admin on Sat Dec 16 18:10:35 GMT 2023
PRIMARY