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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H16O2
Molecular Weight 168.2328
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 2-OCTYNOATE

SMILES

CCCCCC#CC(=O)OCC

InChI

InChIKey=QPMDWYXUSMRVKT-UHFFFAOYSA-N
InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H16O2
Molecular Weight 168.2328
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 Tue Apr 01 19:19:52 GMT 2025
Edited
by admin
on Tue Apr 01 19:19:52 GMT 2025
Record UNII
XTH780U0N3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-74485
Preferred Name English
ETHYL 2-OCTYNOATE
Systematic Name English
2-OCTYNOIC ACID, ETHYL ESTER
Common Name English
ETHYL PENTYLPROPIOLATE
Systematic Name English
Code System Code Type Description
CAS
10519-20-7
Created by admin on Tue Apr 01 19:19:52 GMT 2025 , Edited by admin on Tue Apr 01 19:19:52 GMT 2025
PRIMARY
ECHA (EC/EINECS)
234-058-5
Created by admin on Tue Apr 01 19:19:52 GMT 2025 , Edited by admin on Tue Apr 01 19:19:52 GMT 2025
PRIMARY
NSC
74485
Created by admin on Tue Apr 01 19:19:52 GMT 2025 , Edited by admin on Tue Apr 01 19:19:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID9065104
Created by admin on Tue Apr 01 19:19:52 GMT 2025 , Edited by admin on Tue Apr 01 19:19:52 GMT 2025
PRIMARY
PUBCHEM
66338
Created by admin on Tue Apr 01 19:19:52 GMT 2025 , Edited by admin on Tue Apr 01 19:19:52 GMT 2025
PRIMARY
FDA UNII
XTH780U0N3
Created by admin on Tue Apr 01 19:19:52 GMT 2025 , Edited by admin on Tue Apr 01 19:19:52 GMT 2025
PRIMARY