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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
Fatty acids, C16-18, isotridecyl esters

Inventory

EC number:
306-084-8
EC name:
Fatty acids, C16-18, isotridecyl esters
CAS number:
95912-88-2
CAS number:
95912-88-2
Synonyms
Names:
Identifier:
IUPAC name
-
Identifier:
IUPAC name
Fatty acids, C16-18 (even numbered), isotridecyl esters
Identifier:
IUPAC name
Fatty acids, C16-18 (even numbered), isotridecyl esters, Isotridecyl Stearate
Identifier:
IUPAC name
Reaction products formed by the reaction of fatty acids, C16-18 (even numbered) with isotridecanol with the removal ofwater at 100 - 200°C.
Identifier:
INCI name
Isotridecyl Stearate
Identifier:
other: Molecular formula
C29H58O2 and C31H62O2
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C
Identifier:
other: SMILES notation
Not applicable
Identifier:
other: Molecular formula
not applicable
Identifier:
other: SMILES notation
not applicable
Identifier:
other: InChl
not applicable
Identifier:
other: Molecular formula
not applicable being an UVCB substance
Identifier:
other: Molecular formula
not available

Molecular and structural information

Molecular formula:
C29H58O2 and C31H62O2
Molecular weight:
438.78 - 466.83
SMILES notation:
Example for SMILES code:
CCCCCCCCCCCCCCCC(=O)OC(C)CCCCCCCCCCC
and
CCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCCCCCCCC
InChl:
Example for InChI:
InChI=1/C29H58O2/c1-4-6-8-10-12-14-15-16-17-19-21-23-25-27-29(30)31-28(3)26-24-22-20-18-13-11-9-7-5-2/h28H,4-27H2,1-3H3
and
InChI=1/C31H62O2/c1-4-6-8-10-12-14-15-16-17-18-19-21-23-25-27-29-31(32)33-30(3)28-26-24-22-20-13-11-9-7-5-2/h30H,4-29H2,1-3H3
Structural formula:
Chemical structure

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