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

Details

Stereochemistry MIXED
Molecular Formula C12H24O2
Molecular Weight 200.3178
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NONANAL PROPYLENEGLYCOL ACETAL

SMILES

CCCCCCCCC1OCC(C)O1

InChI

InChIKey=AGNUIQKIUPCFET-UHFFFAOYSA-N
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-12-13-10-11(2)14-12/h11-12H,3-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H24O2
Molecular Weight 200.3178
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 22:04:01 GMT 2023
Edited
by admin
on Fri Dec 15 22:04:01 GMT 2023
Record UNII
28H9SFA7YM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NONANAL PROPYLENEGLYCOL ACETAL
FHFI  
Common Name English
NONANAL PROPYLENEGLYCOL ACETAL [FHFI]
Common Name English
FEMA NO. 4373
Code English
(±)-, NONANAL PROPYLENEGLYCOL ACETAL
Common Name English
1,3-DIOXOLANE, 4-METHYL-2-OCTYL-
Systematic Name English
4-METHYL-2-OCTYL-1,3-DIOXOLANE
Systematic Name English
NONANAL PROPYLENEGLYCOL ACETAL, (±)-
Common Name English
NSC-21897
Code English
NONANAL PROPYLENE GLYCOL ACETAL
Common Name English
2-OCTYL-4-METHYL-1,3-DIOXOLANE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION NONANAL PROPYLENEGLYCOL ACETAL
Created by admin on Fri Dec 15 22:04:02 GMT 2023 , Edited by admin on Fri Dec 15 22:04:02 GMT 2023
Code System Code Type Description
FDA UNII
28H9SFA7YM
Created by admin on Fri Dec 15 22:04:02 GMT 2023 , Edited by admin on Fri Dec 15 22:04:02 GMT 2023
PRIMARY
NSC
21897
Created by admin on Fri Dec 15 22:04:02 GMT 2023 , Edited by admin on Fri Dec 15 22:04:02 GMT 2023
PRIMARY
ECHA (EC/EINECS)
269-947-7
Created by admin on Fri Dec 15 22:04:02 GMT 2023 , Edited by admin on Fri Dec 15 22:04:02 GMT 2023
PRIMARY
CAS
68391-39-9
Created by admin on Fri Dec 15 22:04:02 GMT 2023 , Edited by admin on Fri Dec 15 22:04:02 GMT 2023
PRIMARY
JECFA MONOGRAPH
1721
Created by admin on Fri Dec 15 22:04:02 GMT 2023 , Edited by admin on Fri Dec 15 22:04:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID70867586
Created by admin on Fri Dec 15 22:04:02 GMT 2023 , Edited by admin on Fri Dec 15 22:04:02 GMT 2023
PRIMARY
PUBCHEM
95572
Created by admin on Fri Dec 15 22:04:02 GMT 2023 , Edited by admin on Fri Dec 15 22:04:02 GMT 2023
PRIMARY