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Details

Stereochemistry MIXED
Molecular Formula C14H28O2
Molecular Weight 228.3709
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXANAL OCTANE-1,3-DIOL ACETAL

SMILES

CCCCCC1CCOC(CCCCC)O1

InChI

InChIKey=JTGGXBHDIVDFHP-UHFFFAOYSA-N
InChI=1S/C14H28O2/c1-3-5-7-9-13-11-12-15-14(16-13)10-8-6-4-2/h13-14H,3-12H2,1-2H3

HIDE SMILES / InChI
Molecular Formula C14H28O2
Molecular Weight 228.3709
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
139594
Patents

Patents

20100087517
1
20130253045
1
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:29:43 GMT 2023
Edited
by admin
on Fri Dec 15 19:29:43 GMT 2023
Record UNII
8K24ODV341
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXANAL OCTANE-1,3-DIOL ACETAL
FHFI  
Common Name English
(±)-HEXANAL OCTANE-1,3-DIOL ACETAL
Common Name English
HEXANAL OCTANE-1,3-DIOL ACETAL, (±)-
Common Name English
ALDEHYDE C-6 OCTANE-1,3-DIOL ACETAL
Common Name English
2,4-DIPENTYL-1,3-DIOXANE
Systematic Name English
FEMA NO. 4377
Code English
HEXANAL OCTANE-1,3-DIOL ACETAL [FHFI]
Common Name English
HEXANAL 1,3-OCTANEDIOL ACETAL
Common Name English
Classification Tree Code System Code
JECFA EVALUATION HEXANAL OCTANE-1,3-DIOL ACETAL
Created by admin on Fri Dec 15 19:29:43 GMT 2023 , Edited by admin on Fri Dec 15 19:29:43 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID10942301
Created by admin on Fri Dec 15 19:29:43 GMT 2023 , Edited by admin on Fri Dec 15 19:29:43 GMT 2023
PRIMARY
PUBCHEM
526993
Created by admin on Fri Dec 15 19:29:43 GMT 2023 , Edited by admin on Fri Dec 15 19:29:43 GMT 2023
PRIMARY
CAS
202188-46-3
Created by admin on Fri Dec 15 19:29:43 GMT 2023 , Edited by admin on Fri Dec 15 19:29:43 GMT 2023
PRIMARY
JECFA MONOGRAPH
1714
Created by admin on Fri Dec 15 19:29:43 GMT 2023 , Edited by admin on Fri Dec 15 19:29:43 GMT 2023
PRIMARY
FDA UNII
8K24ODV341
Created by admin on Fri Dec 15 19:29:43 GMT 2023 , Edited by admin on Fri Dec 15 19:29:43 GMT 2023
PRIMARY
NIH
NCATS
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