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

Details

Stereochemistry RACEMIC
Molecular Formula C8H14O3
Molecular Weight 158.195
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-BUTYL-1,4-DIOXAN-2-ONE

SMILES

CCCCC1COCC(=O)O1

InChI

InChIKey=XTCQDNHLNWLJMO-UHFFFAOYSA-N
InChI=1S/C8H14O3/c1-2-3-4-7-5-10-6-8(9)11-7/h7H,2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C8H14O3
Molecular Weight 158.195
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:43:09 GMT 2025
Edited
by admin
on Mon Mar 31 19:43:09 GMT 2025
Record UNII
V59QO7GO31
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-BUTYL-1,4-DIOXAN-2-ONE
Systematic Name English
FEMA NO. 2204, 6-BUTYL-
Preferred Name English
1,4-DIOXAN-2-ONE, 6-BUTYL-
Systematic Name English
6-BUTYL-1,4-DIOXAN-2-ONE, (±)-
Systematic Name English
6-BUTYL-P-DIOXAN-2-ONE
Common Name English
6-BUTYL-1,4-DI-OXAN-2-ONE
Systematic Name English
ACETIC ACID, ((2-HYDROXYHEXYL)OXY)-, .DELTA.-LACTONE
Common Name English
(±)- 6-BUTYL-1,4-DIOXAN-2-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
19993349
Created by admin on Mon Mar 31 19:43:09 GMT 2025 , Edited by admin on Mon Mar 31 19:43:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID00893797
Created by admin on Mon Mar 31 19:43:09 GMT 2025 , Edited by admin on Mon Mar 31 19:43:09 GMT 2025
PRIMARY
FDA UNII
V59QO7GO31
Created by admin on Mon Mar 31 19:43:09 GMT 2025 , Edited by admin on Mon Mar 31 19:43:09 GMT 2025
PRIMARY
CAS
92351-38-7
Created by admin on Mon Mar 31 19:43:09 GMT 2025 , Edited by admin on Mon Mar 31 19:43:09 GMT 2025
PRIMARY