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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H6O3
Molecular Weight 126.11
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMALTOL

SMILES

CC(=O)C1=C(O)C=CO1

InChI

InChIKey=HPIGCVXMBGOWTF-UHFFFAOYSA-N
InChI=1S/C6H6O3/c1-4(7)6-5(8)2-3-9-6/h2-3,8H,1H3

HIDE SMILES / InChI

Molecular Formula C6H6O3
Molecular Weight 126.11
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Different complexation properties of some hydroxy keto heterocycles toward beryllium(II) in aqueous solutions: experimental and theoretical studies.
2002 Jul 29
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:15:30 GMT 2023
Edited
by admin
on Sat Dec 16 05:15:30 GMT 2023
Record UNII
76NST80C38
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOMALTOL
MI  
Common Name English
ETHANONE, 1-(3-HYDROXY-2-FURANYL)-
Systematic Name English
2-ACETYL-3-HYDROXYFURAN
Systematic Name English
ISOMALTOL [MI]
Common Name English
3-HYDROXY-2-FURYL METHYL KETONE
Systematic Name English
KETONE, 3-HYDROXY-2-FURYL METHYL
Systematic Name English
Code System Code Type Description
CAS
3420-59-5
Created by admin on Sat Dec 16 05:15:30 GMT 2023 , Edited by admin on Sat Dec 16 05:15:30 GMT 2023
PRIMARY
PUBCHEM
18898
Created by admin on Sat Dec 16 05:15:30 GMT 2023 , Edited by admin on Sat Dec 16 05:15:30 GMT 2023
PRIMARY
FDA UNII
76NST80C38
Created by admin on Sat Dec 16 05:15:30 GMT 2023 , Edited by admin on Sat Dec 16 05:15:30 GMT 2023
PRIMARY
WIKIPEDIA
ISOMALTOL
Created by admin on Sat Dec 16 05:15:30 GMT 2023 , Edited by admin on Sat Dec 16 05:15:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID10187790
Created by admin on Sat Dec 16 05:15:30 GMT 2023 , Edited by admin on Sat Dec 16 05:15:30 GMT 2023
PRIMARY
MERCK INDEX
m6497
Created by admin on Sat Dec 16 05:15:30 GMT 2023 , Edited by admin on Sat Dec 16 05:15:30 GMT 2023
PRIMARY Merck Index