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

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 3-(HYDROXYMETHYL)-2-HEPTANONE

SMILES

CCCCC(CO)C(C)=O

InChI

InChIKey=MHOXVRWQBOAOAU-UHFFFAOYSA-N
InChI=1S/C8H16O2/c1-3-4-5-8(6-9)7(2)10/h8-9H,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

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 21:15:38 GMT 2023
Edited
by admin
on Fri Dec 15 21:15:38 GMT 2023
Record UNII
NWU4UN7SMJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(HYDROXYMETHYL)-2-HEPTANONE
Systematic Name English
3-(HYDROXYMETHYL)-2-HEPTANONE, (±)-
Systematic Name English
2-HEPTANONE, 3-(HYDROXYMETHYL)-
Systematic Name English
3-OCTANON-1-OL [FHFI]
Common Name English
FEMA NO. 2804
Code English
3-HYDROXYMETHYL-2-HEPTANONE
Systematic Name English
3-BUTYL-4-HYDROXY-2-BUTANONE
Systematic Name English
3-OCTANON-1-OL
FHFI  
Common Name English
(±)-3-(HYDROXYMETHYL)-2-HEPTANONE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-(HYDROXYMETHYL)-2-HEPTANONE
Created by admin on Fri Dec 15 21:15:38 GMT 2023 , Edited by admin on Fri Dec 15 21:15:38 GMT 2023
Code System Code Type Description
FDA UNII
NWU4UN7SMJ
Created by admin on Fri Dec 15 21:15:38 GMT 2023 , Edited by admin on Fri Dec 15 21:15:38 GMT 2023
PRIMARY
JECFA MONOGRAPH
688
Created by admin on Fri Dec 15 21:15:38 GMT 2023 , Edited by admin on Fri Dec 15 21:15:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
265-739-5
Created by admin on Fri Dec 15 21:15:38 GMT 2023 , Edited by admin on Fri Dec 15 21:15:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID30867143
Created by admin on Fri Dec 15 21:15:38 GMT 2023 , Edited by admin on Fri Dec 15 21:15:38 GMT 2023
PRIMARY
PUBCHEM
5362561
Created by admin on Fri Dec 15 21:15:38 GMT 2023 , Edited by admin on Fri Dec 15 21:15:38 GMT 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
3-(HYDROXYMETHYL)-2-HEPTANONE
Created by admin on Fri Dec 15 21:15:38 GMT 2023 , Edited by admin on Fri Dec 15 21:15:38 GMT 2023
PRIMARY
CAS
65405-68-7
Created by admin on Fri Dec 15 21:15:38 GMT 2023 , Edited by admin on Fri Dec 15 21:15:38 GMT 2023
PRIMARY