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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLYL HEPTANOATE

SMILES

CCCCCCC(=O)OCC=C

InChI

InChIKey=SJWKGDGUQTWDRV-UHFFFAOYSA-N
InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H18O2
Molecular Weight 170.2487
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:01:13 GMT 2023
Edited
by admin
on Fri Dec 15 17:01:13 GMT 2023
Record UNII
AU4CYG9V68
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLYL HEPTANOATE
FCC   FHFI  
Systematic Name English
HEPTANOIC ACID, 2-PROPENYL ESTER
Common Name English
ALLYL HEPTANOATE [FHFI]
Common Name English
ALLYL HEPATONATE
Common Name English
ALLYL OENANTHATE
Common Name English
HEPTANOIC ACID, ALLYL ESTER
Common Name English
NSC-20969
Code English
ALLYL HEPTOATE
Common Name English
FEMA NO. 2031
Code English
PROP-2-EN-1-YL HEPTANOATE
Systematic Name English
HEPTANOIC ACID, 2-PROPEN-1-YL ESTER
Common Name English
ALLYL HEPTANOATE [FCC]
Common Name English
2-PROPENYL HEPTANOATE
Systematic Name English
ALLYL ENANTHATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION ALLYL HEPTANOATE
Created by admin on Fri Dec 15 17:01:13 GMT 2023 , Edited by admin on Fri Dec 15 17:01:13 GMT 2023
Code System Code Type Description
CAS
142-19-8
Created by admin on Fri Dec 15 17:01:13 GMT 2023 , Edited by admin on Fri Dec 15 17:01:13 GMT 2023
PRIMARY
FDA UNII
AU4CYG9V68
Created by admin on Fri Dec 15 17:01:13 GMT 2023 , Edited by admin on Fri Dec 15 17:01:13 GMT 2023
PRIMARY
RXCUI
2383533
Created by admin on Fri Dec 15 17:01:13 GMT 2023 , Edited by admin on Fri Dec 15 17:01:13 GMT 2023
PRIMARY
DAILYMED
AU4CYG9V68
Created by admin on Fri Dec 15 17:01:13 GMT 2023 , Edited by admin on Fri Dec 15 17:01:13 GMT 2023
PRIMARY
PUBCHEM
8878
Created by admin on Fri Dec 15 17:01:13 GMT 2023 , Edited by admin on Fri Dec 15 17:01:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID3044754
Created by admin on Fri Dec 15 17:01:13 GMT 2023 , Edited by admin on Fri Dec 15 17:01:13 GMT 2023
PRIMARY
SMS_ID
100000161280
Created by admin on Fri Dec 15 17:01:13 GMT 2023 , Edited by admin on Fri Dec 15 17:01:13 GMT 2023
PRIMARY
NSC
20969
Created by admin on Fri Dec 15 17:01:13 GMT 2023 , Edited by admin on Fri Dec 15 17:01:13 GMT 2023
PRIMARY
EVMPD
SUB175037
Created by admin on Fri Dec 15 17:01:13 GMT 2023 , Edited by admin on Fri Dec 15 17:01:13 GMT 2023
PRIMARY
JECFA MONOGRAPH
322
Created by admin on Fri Dec 15 17:01:13 GMT 2023 , Edited by admin on Fri Dec 15 17:01:13 GMT 2023
PRIMARY
ECHA (EC/EINECS)
205-527-1
Created by admin on Fri Dec 15 17:01:13 GMT 2023 , Edited by admin on Fri Dec 15 17:01:13 GMT 2023
PRIMARY