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

Details

Stereochemistry RACEMIC
Molecular Formula C10H18O3
Molecular Weight 186.2481
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HEXYL-6-KETO-1,4-DIOXANE

SMILES

CCCCCCC1COCC(=O)O1

InChI

InChIKey=DDMSZJBFTYIFQQ-UHFFFAOYSA-N
InChI=1S/C10H18O3/c1-2-3-4-5-6-9-7-12-8-10(11)13-9/h9H,2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H18O3
Molecular Weight 186.2481
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:15:14 GMT 2023
Edited
by admin
on Sat Dec 16 01:15:14 GMT 2023
Record UNII
253TJ775PU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HEXYL-6-KETO-1,4-DIOXANE
Systematic Name English
2-HEXYL 6-KETO-1,4-DIOXANE, (±)-
Common Name English
FEMA NO. 2574, 6-KETO-
Code English
6-HEXYL-P-DIOXAN-2-ONE
Common Name English
1,4-DIOXAN-2-ONE, 6-HEXYL-
Systematic Name English
6-HEXYL-1,4-DIOXAN-2-ONE
Systematic Name English
(±)-2-HEXYL 6-KETO-1,4-DIOXANE
Systematic Name English
ACETIC ACID, ((2-HYDROXYOCTYL)OXY)-, .DELTA.-LACTONE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID801312743
Created by admin on Sat Dec 16 01:15:14 GMT 2023 , Edited by admin on Sat Dec 16 01:15:14 GMT 2023
PRIMARY
FDA UNII
253TJ775PU
Created by admin on Sat Dec 16 01:15:14 GMT 2023 , Edited by admin on Sat Dec 16 01:15:14 GMT 2023
PRIMARY
PUBCHEM
19993347
Created by admin on Sat Dec 16 01:15:14 GMT 2023 , Edited by admin on Sat Dec 16 01:15:14 GMT 2023
PRIMARY
CAS
59646-18-3
Created by admin on Sat Dec 16 01:15:14 GMT 2023 , Edited by admin on Sat Dec 16 01:15:14 GMT 2023
PRIMARY