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

Details

Stereochemistry MIXED
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,6-DIMETHYL-4-OCTYNE-3,6-DIOL

SMILES

CCC(C)(O)C#CC(C)(O)CC

InChI

InChIKey=NUYADIDKTLPDGG-UHFFFAOYSA-N
InChI=1S/C10H18O2/c1-5-9(3,11)7-8-10(4,12)6-2/h11-12H,5-6H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
3,6-DIMETHYL-4-OCTYNE-3,6-DIOL
Systematic Name English
SURFYNOL 82
Preferred Name English
4-OCTYNE-3,6-DIOL, 3,6-DIMETHYL-
Systematic Name English
3,6-DIMETHYLOCT-4-YNE-3,6-DIOL
Systematic Name English
NSC-1025
Code English
NSC-406738
Code English
SURFYNOL 85
Brand Name English
Code System Code Type Description
ECHA (EC/EINECS)
201-131-8
Created by admin on Mon Mar 31 18:23:46 GMT 2025 , Edited by admin on Mon Mar 31 18:23:46 GMT 2025
PRIMARY
FDA UNII
GFO2D7A38Q
Created by admin on Mon Mar 31 18:23:46 GMT 2025 , Edited by admin on Mon Mar 31 18:23:46 GMT 2025
PRIMARY
NSC
1025
Created by admin on Mon Mar 31 18:23:46 GMT 2025 , Edited by admin on Mon Mar 31 18:23:46 GMT 2025
PRIMARY
PUBCHEM
6546
Created by admin on Mon Mar 31 18:23:46 GMT 2025 , Edited by admin on Mon Mar 31 18:23:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID1041475
Created by admin on Mon Mar 31 18:23:46 GMT 2025 , Edited by admin on Mon Mar 31 18:23:46 GMT 2025
PRIMARY
CAS
78-66-0
Created by admin on Mon Mar 31 18:23:46 GMT 2025 , Edited by admin on Mon Mar 31 18:23:46 GMT 2025
PRIMARY
NSC
406738
Created by admin on Mon Mar 31 18:23:46 GMT 2025 , Edited by admin on Mon Mar 31 18:23:46 GMT 2025
PRIMARY