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Details

Stereochemistry RACEMIC
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYROIN

SMILES

CCCC(O)C(=O)CCC

InChI

InChIKey=BVEYJWQCMOVMAR-UHFFFAOYSA-N
InChI=1S/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H16O2
Molecular Weight 144.2114
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 22:46:24 GMT 2023
Edited
by admin
on Fri Dec 15 22:46:24 GMT 2023
Record UNII
WG070EDJ4X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYROIN
MI  
Systematic Name English
5-OCTANOL-4-ONE
Common Name English
4-HYDROXY-5-OCTANONE
Systematic Name English
BUTYROIN [MI]
Common Name English
(±)-BUTYROIN
Systematic Name English
NSC-1479
Code English
5-HYDROXY-4-OCTANONE
FHFI  
Systematic Name English
FEMA NO. 2587
Code English
OCTAN-4-OL-5-ONE
Common Name English
5-HYDROXY-4-OCTANONE [FHFI]
Common Name English
4-OCTANONE, 5-HYDROXY-
Systematic Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 22:46:24 GMT 2023 , Edited by admin on Fri Dec 15 22:46:24 GMT 2023
JECFA EVALUATION 5-HYDROXY-4-OCTANONE
Created by admin on Fri Dec 15 22:46:24 GMT 2023 , Edited by admin on Fri Dec 15 22:46:24 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID60862040
Created by admin on Fri Dec 15 22:46:24 GMT 2023 , Edited by admin on Fri Dec 15 22:46:24 GMT 2023
PRIMARY
CAS
496-77-5
Created by admin on Fri Dec 15 22:46:24 GMT 2023 , Edited by admin on Fri Dec 15 22:46:24 GMT 2023
PRIMARY
PUBCHEM
219794
Created by admin on Fri Dec 15 22:46:24 GMT 2023 , Edited by admin on Fri Dec 15 22:46:24 GMT 2023
PRIMARY
NSC
1479
Created by admin on Fri Dec 15 22:46:24 GMT 2023 , Edited by admin on Fri Dec 15 22:46:24 GMT 2023
PRIMARY
FDA UNII
WG070EDJ4X
Created by admin on Fri Dec 15 22:46:24 GMT 2023 , Edited by admin on Fri Dec 15 22:46:24 GMT 2023
PRIMARY
JECFA MONOGRAPH
670
Created by admin on Fri Dec 15 22:46:24 GMT 2023 , Edited by admin on Fri Dec 15 22:46:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
207-830-4
Created by admin on Fri Dec 15 22:46:24 GMT 2023 , Edited by admin on Fri Dec 15 22:46:24 GMT 2023
PRIMARY
MERCK INDEX
m2869
Created by admin on Fri Dec 15 22:46:24 GMT 2023 , Edited by admin on Fri Dec 15 22:46:24 GMT 2023
PRIMARY Merck Index