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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H28O2
Molecular Weight 216.3602
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALERALDEHYDE DIBUTYL ACETAL

SMILES

CCCCOC(CCCC)OCCCC

InChI

InChIKey=LDJYPEMHNQONGS-UHFFFAOYSA-N
InChI=1S/C13H28O2/c1-4-7-10-13(14-11-8-5-2)15-12-9-6-3/h13H,4-12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H28O2
Molecular Weight 216.3602
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 Sat Dec 16 02:14:56 GMT 2023
Edited
by admin
on Sat Dec 16 02:14:56 GMT 2023
Record UNII
FNB1D5PS4H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VALERALDEHYDE DIBUTYL ACETAL
Systematic Name English
FEMA NO. 4375
Code English
VALERALDEHYDE, DIBUTYL ACETAL
Common Name English
PENTANAL DIBUTYL ACETAL
Systematic Name English
PENTANE, 1,1-DIBUTOXY-
Systematic Name English
1,1-DIBUTOXYPENTANE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION VALERALDEHYDE DIBUTYL ACETAL
Created by admin on Sat Dec 16 02:14:56 GMT 2023 , Edited by admin on Sat Dec 16 02:14:56 GMT 2023
Code System Code Type Description
FDA UNII
FNB1D5PS4H
Created by admin on Sat Dec 16 02:14:56 GMT 2023 , Edited by admin on Sat Dec 16 02:14:56 GMT 2023
PRIMARY
JECFA MONOGRAPH
1709
Created by admin on Sat Dec 16 02:14:56 GMT 2023 , Edited by admin on Sat Dec 16 02:14:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID50156905
Created by admin on Sat Dec 16 02:14:56 GMT 2023 , Edited by admin on Sat Dec 16 02:14:56 GMT 2023
PRIMARY
PUBCHEM
22011445
Created by admin on Sat Dec 16 02:14:56 GMT 2023 , Edited by admin on Sat Dec 16 02:14:56 GMT 2023
PRIMARY
CAS
13112-65-7
Created by admin on Sat Dec 16 02:14:56 GMT 2023 , Edited by admin on Sat Dec 16 02:14:56 GMT 2023
PRIMARY