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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
1-cyclohexyl-3-[4-({4-[(cyclohexylcarbamoyl)amino]phenyl}methyl)phenyl]urea; 1-cyclohexyl-3-[4-({4-[(octadecylcarbamoyl)amino]phenyl}methyl)phenyl]urea; 3-octadecyl-1-[4-({4-[(octadecylcarbamoyl)amino]phenyl}methyl)phenyl]urea

Inventory

EC number:
406-530-2
EC name:
A mixture of: 3,3'-dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea; 3-cyclohexyl-1-(4-(4-(3-octadecylureido)benzyl)phenyl)urea; 3,3'-dioctadecyl-1,1'-methylenebis(4,1-phenylene)diurea
CAS number:
-
Description:
MDI
Synonyms
Names:
MDI/CHA/ODA
Identifier:
IUPAC name
Reaction mass of 3-cyclohexyl-3'-octadecyl-1,1'-methylenebis(4,1- phenylene)diurea and 3,3'-dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea and 3,3'-dioctadecyl-1,1'-methylenebis(4,1-phenylene)diurea
Identifier:
IUPAC name
Reaction mass of 3‐cyclohexyl‐1‐[4‐({4‐[(cyclohexylcarbamoyl)amino]phenyl}methyl)phenyl]urea and 3‐cyclohexyl‐1‐[4‐({4‐[(octadecylcarbamoyl)amino]phenyl}methyl)phenyl]urea and 3‐octadecyl‐1‐[4‐({4‐[(octadecylcarbamoyl)amino]phenyl}methyl)phenyl]urea
Identifier:
other: Molecular formula
C51H88N4O2, C39H62N4O2, C27H36N4O2
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCCNC(=O)Nc2ccc(Cc1ccc(NC(=O)NCCCCCCCCCCCCCCCCCC)cc1)cc2 CCCCCCCCCCCCCCCCCCNC(=O)Nc3ccc(Cc2ccc(NC(=O)Nc1ccccc1)cc2)cc3 O=C(Nc3ccc(Cc2ccc(NC(=O)NC1CCCCC1)cc2)cc3)NC4CCCCC4
Identifier:
other: SMILES notation
Not applicable
Reaction mass of 3-cyclohexyl-3'-octadecyl-1,1'-methylenebis(4,1-phenylene)diurea; 3,3'-dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea and 3,3'-dioctadecyl-1,1'-methylenebis(4,1-phenylene)diurea

Molecular and structural information

Molecular formula:
Not applicable (a generic Molecular Formula cannot be produced for this multi-constituent substance)
Molecular weight:
590.4
SMILES notation:
Not applicable for a multi-constituent substance, refer to the remarks field below.
InChl:
Not applicable
Structural formula:
Chemical structure

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