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Details

Stereochemistry RACEMIC
Molecular Formula C9H18O2
Molecular Weight 158.238
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(HYDROXYMETHYL)-2-OCTANONE

SMILES

CCCCCC(CO)C(C)=O

InChI

InChIKey=XLFYWCDNLLZTIW-UHFFFAOYSA-N
InChI=1S/C9H18O2/c1-3-4-5-6-9(7-10)8(2)11/h9-10H,3-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H18O2
Molecular Weight 158.238
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 18:52:53 GMT 2023
Edited
by admin
on Fri Dec 15 18:52:53 GMT 2023
Record UNII
9O1364HRDW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(HYDROXYMETHYL)-2-OCTANONE
FHFI  
Systematic Name English
3-(HYDROXYMETHYL)-2-OCTANONE [FHFI]
Common Name English
2-OCTANONE, 3-(HYDROXYMETHYL)-
Systematic Name English
3-(HYDROXYMETHYL)OCTAN-2-ONE
Systematic Name English
(±)-3-HYDROXYMETHYL-2-OCTANONE
Systematic Name English
FEMA NO. 3292
Code English
Code System Code Type Description
CAS
59191-78-5
Created by admin on Fri Dec 15 18:52:53 GMT 2023 , Edited by admin on Fri Dec 15 18:52:53 GMT 2023
PRIMARY
PUBCHEM
62148
Created by admin on Fri Dec 15 18:52:53 GMT 2023 , Edited by admin on Fri Dec 15 18:52:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
261-652-1
Created by admin on Fri Dec 15 18:52:53 GMT 2023 , Edited by admin on Fri Dec 15 18:52:53 GMT 2023
PRIMARY
FDA UNII
9O1364HRDW
Created by admin on Fri Dec 15 18:52:53 GMT 2023 , Edited by admin on Fri Dec 15 18:52:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID00866744
Created by admin on Fri Dec 15 18:52:53 GMT 2023 , Edited by admin on Fri Dec 15 18:52:53 GMT 2023
PRIMARY
JECFA MONOGRAPH
1817
Created by admin on Fri Dec 15 18:52:53 GMT 2023 , Edited by admin on Fri Dec 15 18:52:53 GMT 2023
PRIMARY