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

Details

Stereochemistry MIXED
Molecular Formula C7H14O3
Molecular Weight 146.1843
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETOIN PROPYLENEGLYCOL KETAL

SMILES

CC(O)C1(C)OCC(C)O1

InChI

InChIKey=ZLBNMXMVFWMHAV-UHFFFAOYSA-N
InChI=1S/C7H14O3/c1-5-4-9-7(3,10-5)6(2)8/h5-6,8H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C7H14O3
Molecular Weight 146.1843
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:03:18 GMT 2023
Edited
by admin
on Sat Dec 16 00:03:18 GMT 2023
Record UNII
F5N0OZ3A07
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETOIN PROPYLENEGLYCOL KETAL
Common Name English
ACETOIN PROPYLENEGLYCOL KETAL, (±)-
Common Name English
FEMA NO. 4532
Code English
ACETOIN PROPYLENE GLYCOL ACETAL
Common Name English
(±)-ACETOIN PROPYLENEGLYCOL KETAL
Common Name English
1-(2,4-DIMETHYL-1,3-DIOXOLAN-2-YL)ETHANOL
Systematic Name English
1,3-DIOXOLANE-2-METHANOL, .ALPHA.,2,4-TRIMETHYL-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION ACETOIN PROPYLENEGLYCOL KETAL
Created by admin on Sat Dec 16 00:03:18 GMT 2023 , Edited by admin on Sat Dec 16 00:03:18 GMT 2023
Code System Code Type Description
PUBCHEM
11971259
Created by admin on Sat Dec 16 00:03:18 GMT 2023 , Edited by admin on Sat Dec 16 00:03:18 GMT 2023
PRIMARY
JECFA MONOGRAPH
2011
Created by admin on Sat Dec 16 00:03:18 GMT 2023 , Edited by admin on Sat Dec 16 00:03:18 GMT 2023
PRIMARY
FDA UNII
F5N0OZ3A07
Created by admin on Sat Dec 16 00:03:18 GMT 2023 , Edited by admin on Sat Dec 16 00:03:18 GMT 2023
PRIMARY
CAS
94089-23-3
Created by admin on Sat Dec 16 00:03:18 GMT 2023 , Edited by admin on Sat Dec 16 00:03:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
302-123-8
Created by admin on Sat Dec 16 00:03:18 GMT 2023 , Edited by admin on Sat Dec 16 00:03:18 GMT 2023
PRIMARY