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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H6O2
Molecular Weight 110.1106
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIACETYLENE GLYCOL

SMILES

OCC#CC#CCO

InChI

InChIKey=JXMQYKBAZRDVTC-UHFFFAOYSA-N
InChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h7-8H,5-6H2

HIDE SMILES / InChI

Molecular Formula C6H6O2
Molecular Weight 110.1106
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 19:31:44 GMT 2025
Edited
by admin
on Tue Apr 01 19:31:44 GMT 2025
Record UNII
37EGG3KXZ3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-11686
Preferred Name English
DIACETYLENE GLYCOL
Common Name English
HEXA-2,4-DIYNE-1,6-DIOL
Systematic Name English
2,4-HEXADIYNEDIOL
Systematic Name English
2,4-HEXADIYNE-1,6-DIOL
Systematic Name English
1,6-DIHYDROXY-2,4-HEXADIYNE
Systematic Name English
Code System Code Type Description
PUBCHEM
94973
Created by admin on Tue Apr 01 19:31:44 GMT 2025 , Edited by admin on Tue Apr 01 19:31:44 GMT 2025
PRIMARY
ECHA (EC/EINECS)
221-210-0
Created by admin on Tue Apr 01 19:31:44 GMT 2025 , Edited by admin on Tue Apr 01 19:31:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID50184400
Created by admin on Tue Apr 01 19:31:44 GMT 2025 , Edited by admin on Tue Apr 01 19:31:44 GMT 2025
PRIMARY
FDA UNII
37EGG3KXZ3
Created by admin on Tue Apr 01 19:31:44 GMT 2025 , Edited by admin on Tue Apr 01 19:31:44 GMT 2025
PRIMARY
NSC
11686
Created by admin on Tue Apr 01 19:31:44 GMT 2025 , Edited by admin on Tue Apr 01 19:31:44 GMT 2025
PRIMARY
CAS
3031-68-3
Created by admin on Tue Apr 01 19:31:44 GMT 2025 , Edited by admin on Tue Apr 01 19:31:44 GMT 2025
PRIMARY