Registration Dossier

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
6-(2’-hexyldecanoyloxy)hexan-1-al

Inventory

CAS number:
1849616-54-1
Synonyms
Names:
Identifier:
IUPAC name
6-oxohexyl 2-hexyldecanoate
Identifier:
other: InChl
InChI=1S/C22H42O3/c1-3-5-7-9-10-14-18-21(17-13-8-6-4-2)22(24)25-20-16-12-11-15-19-23/h19,21H,3-18,20H2,1-2H3
Identifier:
other: SMILES notation
O=C(OCCCCCC=O)C(CCCCCC)CCCCCCCC
6-(2’-hexyldecanoyloxy)hexan-1-al

Molecular and structural information

Molecular formula:
C22H42O3
Molecular weight:
ca. 354.567
SMILES notation:
O=CCCCCCOC(=O)C(CCCCCC)CCCCCCCC
InChl:
1S/C22H42O3/c1-3-5-7-9-10-14-18-21(17-13-8-6-4-2)22(24)25-20-16-12-11-15-19-23/h19,21H,3-18,20H2,1-2H3
Structural formula:
Chemical structure

Related substances