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

Approval Year

Name Type Language
FEMA NO. 4375
Preferred Name English
VALERALDEHYDE DIBUTYL ACETAL
Systematic Name 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 Mon Mar 31 21:11:06 GMT 2025 , Edited by admin on Mon Mar 31 21:11:06 GMT 2025
Code System Code Type Description
FDA UNII
FNB1D5PS4H
Created by admin on Mon Mar 31 21:11:06 GMT 2025 , Edited by admin on Mon Mar 31 21:11:06 GMT 2025
PRIMARY
JECFA MONOGRAPH
1709
Created by admin on Mon Mar 31 21:11:06 GMT 2025 , Edited by admin on Mon Mar 31 21:11:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID50156905
Created by admin on Mon Mar 31 21:11:06 GMT 2025 , Edited by admin on Mon Mar 31 21:11:06 GMT 2025
PRIMARY
PUBCHEM
22011445
Created by admin on Mon Mar 31 21:11:06 GMT 2025 , Edited by admin on Mon Mar 31 21:11:06 GMT 2025
PRIMARY
CAS
13112-65-7
Created by admin on Mon Mar 31 21:11:06 GMT 2025 , Edited by admin on Mon Mar 31 21:11:06 GMT 2025
PRIMARY