Registration Dossier

Reference substances

Reference substances

Currently viewing:
IUPAC name:
11-methyldodecyl hexadecanoate

Inventory

EC number:
274-585-8
EC name:
Isotridecyl palmitate
CAS number:
70364-64-6
CAS number:
70364-64-6
Synonyms
Names:
Identifier:
IUPAC name
11-methyldodecyl hexadecanoate
Identifier:
IUPAC name
11-methyldodecyl palmitate
Identifier:
IUPAC name
70364-64-6
Identifier:
IUPAC name
Hexadecanoic acid, ester with alcohol iso-C13
Identifier:
IUPAC name
Isotridecyl palmitate
Identifier:
IUPAC name
isotridecyl palmitate
Identifier:
other: Molecular formula
C29H58O2 (with C13 alcoholic moiety). Being a UVCB substance, a unique molecular formula is not possible.
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCC(OCCCCCCCCCCC(C)C)=O
Identifier:
other: InChl
InChI=1/C29H58O2/c1-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29(30)31-27-24-21-18-15-14-16-19-22-25-28(2)3/h28H,4-27H2,1-3H3
Identifier:
other: InChl
InChI=1S/C29H58O2/c1-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29(30)31-27-24-21-18-15-14-16-19-22-25-28(2)3/h28H,4-27H2,1-3H3

Molecular and structural information

Molecular formula:
C29H58O2
Molecular weight:
ca. 438.8
SMILES notation:
C(=O)(CCCCCCCCCCCCCCC)OCCCCCCCCCCC(C)C
InChl:
1S/C29H58O2/c1-4-5-6-7-8-9-10-11-12-13-17-20-23-26-29(30)31-27-24-21-18-15-14-16-19-22-25-28(2)3/h28H,4-27H2,1-3H3
Structural formula:
Chemical structure

Related substances