Registration Dossier

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
hexadecyl 7-methyloctanoate

Inventory

EC number:
284-424-3
EC name:
Hexadecyl isononanoate
CAS number:
84878-33-1
CAS number:
84878-33-1
Synonyms
Names:
CETYL ISONONANOATE
Identifier:
IUPAC name
Hexadecyl Isononanoate
Identifier:
IUPAC name
Isononanoic acid, hexadecyl ester
Identifier:
IUPAC name
hexadecyl 3,5,5-trimethylhexanoate
Identifier:
IUPAC name
hexadecyl isononanoate
Identifier:
other: Molecular formula
C25H50O2
Identifier:
other: SMILES notation
CC(C)(C)CC(C)CC(OCCCCCCCCCCCCCCCC)=O
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCOC(=O)CC(C)CC(C)(C)C
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCOC(=O)CC(C)CC(C)(C)C CCCCCCCCCCCCCCCCOC(=O)CC(C)CC(C)(C)C
Identifier:
other: InChl
InChI=1/C25H52O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-24(26)21-23(2)22-25(3,4)5/h23-24,26H,6-22H2,1-5H3
Identifier:
other: InChl
InChI=1S/C25H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)22-19-17-18-21-24(2)3/h24H,4-23H2,1-3H3
Identifier:
other: InChl
InChI=1S/C25H50O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-24(26)21-23(2)22-25(3,4)5/h23H,6-22H2,1-5H3
Identifier:
other: SMILES notation
O=C(OCCCCCCCCCCCCCCCC)CCCCCC(C)C

Molecular and structural information

Molecular formula:
C25 H50 O2
Molecular weight:
382.669
SMILES notation:
CCCCCCCCCCCCCCCCOC(=O)CCCCCC(C)C
InChl:
1S/C25H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)22-19-17-18-21-24(2)3/h24H,4-23H2,1-3H3
Structural formula:
Chemical structure

Related substances