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Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O2
Molecular Weight 116.1583
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-HYDROXY-4-METHYL-2-PENTANONE

SMILES

CC(C)CC(=O)CO

InChI

InChIKey=ARVGGOVEVYSUPQ-UHFFFAOYSA-N
InChI=1S/C6H12O2/c1-5(2)3-6(8)4-7/h5,7H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H12O2
Molecular Weight 116.1583
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:30:17 GMT 2025
Edited
by admin
on Mon Mar 31 20:30:17 GMT 2025
Record UNII
60PZB594QD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-HYDROXY-4-METHYL-2-PENTANONE
Systematic Name English
FEMA NO. 4463
Preferred Name English
2-PENTANONE, 1-HYDROXY-4-METHYL-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 1-HYDROXY-4-METHYL-2-PENTANONE
Created by admin on Mon Mar 31 20:30:17 GMT 2025 , Edited by admin on Mon Mar 31 20:30:17 GMT 2025
Code System Code Type Description
PUBCHEM
13294594
Created by admin on Mon Mar 31 20:30:17 GMT 2025 , Edited by admin on Mon Mar 31 20:30:17 GMT 2025
PRIMARY
JECFA MONOGRAPH
1930
Created by admin on Mon Mar 31 20:30:17 GMT 2025 , Edited by admin on Mon Mar 31 20:30:17 GMT 2025
PRIMARY
CAS
68113-55-3
Created by admin on Mon Mar 31 20:30:17 GMT 2025 , Edited by admin on Mon Mar 31 20:30:17 GMT 2025
PRIMARY
FDA UNII
60PZB594QD
Created by admin on Mon Mar 31 20:30:17 GMT 2025 , Edited by admin on Mon Mar 31 20:30:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID60218306
Created by admin on Mon Mar 31 20:30:17 GMT 2025 , Edited by admin on Mon Mar 31 20:30:17 GMT 2025
PRIMARY