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Reference substances

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IUPAC name:
Fatty acids, C8-18 and C18-unsatd., esters with trimethylolpropane

Inventory

EC number:
286-075-2
EC name:
Fatty acids, C8-18 and C18-unsatd., esters with trimethylolpropane
CAS number:
85186-89-6
CAS number:
85186-89-6
Synonyms
Names:
Identifier:
IUPAC name
-
Identifier:
IUPAC name
85186-89-6
Identifier:
IUPAC name
Fatty acids, C8-10(even), C14-18(even) and C16-18(even)-unsatd., triesters with trimethylolpropane
Identifier:
IUPAC name
Fatty acids, C8-18 (even numbered) and C18-unsatd., esters with trimethylolpropane
Identifier:
IUPAC name
Fatty acids, C8-18 and C-18-unsatd., esters with trimethylolpropane
Identifier:
IUPAC name
Fatty acids, C8-18 and C18-unsatd., esters with trimethylolpropane
Identifier:
other: Molecular formula
Being the product a UVCB, a unique molecular formula is not possible.
Identifier:
other:
Fatty acids, C8-18 (even numbered) and C18-unsatd., esters with trimethylolpropane
Identifier:
other:
Fatty acids, C8-18 and C18-unsatd., esters with trimethylolpropane
Identifier:
other: Molecular formula
Not applicable (UVCB substance)
Identifier:
other: SMILES notation
Not applicable (UVCB substance)
Identifier:
other: InChl
Not applicable (UVCB substance)
Identifier:
other: Molecular formula
Not applicable, UBCV substance
Identifier:
other: SMILES notation
Not applicable, UBCV substance
Identifier:
other: InChl
Not applicable, UBCV substance
Identifier:
other: Molecular formula
UVCB not available
Fatty acids, C8-18 (even numbered) and C18-unsatd., esters with trimethylolpropane

Molecular and structural information

Molecular formula:
C30H56O6, C60H116O6 and C60H110O6
Molecular weight:
512.8 - 933.6
SMILES notation:
CCCCCCCC(OCC(CC)(COC(CCCCCCC)=O)COC(CCCCCCC)=O)=O
and
CCCCCCCCCCCCCCCCCC(OCC(CC)(COC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)=O
and
CCCCCCCCC=CCCCCCCCC(OCC(CC)(COC(CCCCCCCC=CCCCCCCCC)=O)COC(CCCCCCCC=CCCCCCCCC)=O)=O
InChl:
InChI=1/C30H56O6/c1-5-9-12-15-18-21-27(31)34-24-30(8-4,25-35-28(32)22-19-16-13-10-6-2)26-36-29(33)23-20-17-14-11-7-3/h5-26H2,1-4H3
and
InChI=1/C60H116O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-57(61)64-54-60(8-4,55-65-58(62)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-66-59(63)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h5-56H2,1-4H3
and
InChI=1/C60H110O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-57(61)64-54-60(8-4,55-65-58(62)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-66-59(63)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h27-32H,5-26,33-56H2,1-4H3/b30-27+,31-28+,32-29+
Structural formula:
Chemical structure

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