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Details

Stereochemistry ACHIRAL
Molecular Formula C11H22O2
Molecular Weight 186.2912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEPTYL BUTYRATE

SMILES

CCCCCCCOC(=O)CCC

InChI

InChIKey=JPQHLIYIQARLQM-UHFFFAOYSA-N
InChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H22O2
Molecular Weight 186.2912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:15:53 GMT 2023
Edited
by admin
on Fri Dec 15 18:15:53 GMT 2023
Record UNII
6YF38H29F1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTYL BUTYRATE
FHFI  
Systematic Name English
HEPTYL BUTANOATE
Systematic Name English
BUTANOIC ACID, HEPTYL ESTER
Common Name English
FEMA NO. 2549
Code English
BUTYRIC ACID, HEPTYL ESTER
Common Name English
HEPTYL BUTYRATE [FHFI]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:15:53 GMT 2023 , Edited by admin on Fri Dec 15 18:15:53 GMT 2023
JECFA EVALUATION HEPTYL BUTYRATE
Created by admin on Fri Dec 15 18:15:53 GMT 2023 , Edited by admin on Fri Dec 15 18:15:53 GMT 2023
EPA PESTICIDE CODE 100247
Created by admin on Fri Dec 15 18:15:53 GMT 2023 , Edited by admin on Fri Dec 15 18:15:53 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
16
Created by admin on Fri Dec 15 18:15:53 GMT 2023 , Edited by admin on Fri Dec 15 18:15:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
227-526-5
Created by admin on Fri Dec 15 18:15:53 GMT 2023 , Edited by admin on Fri Dec 15 18:15:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID0042038
Created by admin on Fri Dec 15 18:15:53 GMT 2023 , Edited by admin on Fri Dec 15 18:15:53 GMT 2023
PRIMARY
FDA UNII
6YF38H29F1
Created by admin on Fri Dec 15 18:15:53 GMT 2023 , Edited by admin on Fri Dec 15 18:15:53 GMT 2023
PRIMARY
CAS
5870-93-9
Created by admin on Fri Dec 15 18:15:53 GMT 2023 , Edited by admin on Fri Dec 15 18:15:53 GMT 2023
PRIMARY
PUBCHEM
62592
Created by admin on Fri Dec 15 18:15:53 GMT 2023 , Edited by admin on Fri Dec 15 18:15:53 GMT 2023
PRIMARY