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 1
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-NONENOATE, (3E)-

SMILES

CCCCC\C=C\CC(=O)OC

InChI

InChIKey=MTDCXFZGUVZRSQ-BQYQJAHWSA-N
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h7-8H,3-6,9H2,1-2H3/b8-7+

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 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:28:46 UTC 2023
Edited
by admin
on Sat Dec 16 00:28:46 UTC 2023
Record UNII
YU6W67I34W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 3-NONENOATE, (3E)-
Systematic Name English
3-NONENOIC ACID, METHYL ESTER, (3E)-
Common Name English
FEMA NO. 3710
Code English
3-NONENOIC ACID, METHYL ESTER, (E)-
Common Name English
METHYL 3-NONENOATE [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION METHYL 3-NONENOATE
Created by admin on Sat Dec 16 00:28:46 UTC 2023 , Edited by admin on Sat Dec 16 00:28:46 UTC 2023
Code System Code Type Description
PUBCHEM
5366844
Created by admin on Sat Dec 16 00:28:46 UTC 2023 , Edited by admin on Sat Dec 16 00:28:46 UTC 2023
PRIMARY
CAS
13481-87-3
Created by admin on Sat Dec 16 00:28:46 UTC 2023 , Edited by admin on Sat Dec 16 00:28:46 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID90190247
Created by admin on Sat Dec 16 00:28:46 UTC 2023 , Edited by admin on Sat Dec 16 00:28:46 UTC 2023
PRIMARY
ECHA (EC/EINECS)
236-786-9
Created by admin on Sat Dec 16 00:28:46 UTC 2023 , Edited by admin on Sat Dec 16 00:28:46 UTC 2023
PRIMARY
JECFA MONOGRAPH
70
Created by admin on Sat Dec 16 00:28:46 UTC 2023 , Edited by admin on Sat Dec 16 00:28:46 UTC 2023
PRIMARY
FDA UNII
YU6W67I34W
Created by admin on Sat Dec 16 00:28:46 UTC 2023 , Edited by admin on Sat Dec 16 00:28:46 UTC 2023
PRIMARY
CAS
36781-67-6
Created by admin on Sat Dec 16 00:28:46 UTC 2023 , Edited by admin on Sat Dec 16 00:28:46 UTC 2023
PRIMARY