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Details

Stereochemistry RACEMIC
Molecular Formula C14H30O3
Molecular Weight 246.3862
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYCITRONELLAL DIETHYL ACETAL

SMILES

CCOC(CC(C)CCCC(C)(C)O)OCC

InChI

InChIKey=XOJDKWNFMFCXNE-UHFFFAOYSA-N
InChI=1S/C14H30O3/c1-6-16-13(17-7-2)11-12(3)9-8-10-14(4,5)15/h12-13,15H,6-11H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C14H30O3
Molecular Weight 246.3862
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:55:16 GMT 2023
Edited
by admin
on Fri Dec 15 19:55:16 GMT 2023
Record UNII
F82P1A3CIM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYCITRONELLAL DIETHYL ACETAL
FHFI  
Systematic Name English
7-HYDROXY-3,7-DIMETHYLOCTANAL DIETHYL ACETAL
Systematic Name English
OCTANAL, 7-HYDROXY-3,7-DIMETHYL-, DIETHYL ACETAL
Common Name English
(±)-HYDROXYCITRONELLAL DIETHYL ACETAL
Systematic Name English
HYDROXYCITRONELLAL DIETHYL ACETAL, (±)-
Systematic Name English
HYDROXYCITRONELLAL DIETHYL ACETAL [FHFI]
Common Name English
FEMA NO. 2584
Code English
2-OCTANOL, 8,8-DIETHOXY-2,6-DIMETHYL-
Systematic Name English
1,1-DIETHOXY-3,7-DIMETHYL-7-OCTANOL
Systematic Name English
1,1-DIETHOXY-3,7-DIMETHYLOCTAN-7-OL
Systematic Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 19:55:16 GMT 2023 , Edited by admin on Fri Dec 15 19:55:16 GMT 2023
Code System Code Type Description
CAS
7779-94-4
Created by admin on Fri Dec 15 19:55:16 GMT 2023 , Edited by admin on Fri Dec 15 19:55:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID00864124
Created by admin on Fri Dec 15 19:55:16 GMT 2023 , Edited by admin on Fri Dec 15 19:55:16 GMT 2023
PRIMARY
PUBCHEM
5463911
Created by admin on Fri Dec 15 19:55:16 GMT 2023 , Edited by admin on Fri Dec 15 19:55:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-945-9
Created by admin on Fri Dec 15 19:55:16 GMT 2023 , Edited by admin on Fri Dec 15 19:55:16 GMT 2023
PRIMARY
JECFA MONOGRAPH
163
Created by admin on Fri Dec 15 19:55:16 GMT 2023 , Edited by admin on Fri Dec 15 19:55:16 GMT 2023
PRIMARY
FDA UNII
F82P1A3CIM
Created by admin on Fri Dec 15 19:55:16 GMT 2023 , Edited by admin on Fri Dec 15 19:55:16 GMT 2023
PRIMARY