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Fatty acids, C16-18, esters with pentaerythritol

EC number: 285-547-5 | CAS number: 85116-93-4

Life Cycle description
Uses advised against

Reference substances

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IUPAC name:: Fatty acids (even-numbered), C16-18, esters with pentaerythritol

Inventory

EC number:: 285-547-5
EC name:: Fatty acids, C16-18, esters with pentaerythritol
CAS number:: 85116-93-4
CAS number:: 85116-93-4

Synonyms

Names:
Identifier:: IUPAC name; 85116-93-4
Identifier:: IUPAC name; Fatty acids (even-numbered), C16-18, esters with pentaerythritol
Identifier:: IUPAC name; Fatty acids, C16-18 (even numbered), esters with pentaerythritol
Identifier:: IUPAC name; Fatty acids, C16-18 (even numbered), mono-, di-, tri- and tetraesters with pentaerythritol
Identifier:: IUPAC name; Fatty acids, C16-18, (even numbered) esters with pentaerythritol
Identifier:: IUPAC name; Fatty acids, C16-18, (even numbered) esters with pentaerythritol
Identifier:: IUPAC name; Fatty acids, C16-18, esters with pentaerythritol
Identifier:: other: InChl; 1/C69H132O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-65(70)74-61-69(62-75-66(71)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-76-67(72)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-77-68(73)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3 and 1/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3
Identifier:: other: Molecular formula; 21H42O5 to C77H148O8
Identifier:: other: Molecular formula; C21H42O5 - C77H148O8
Identifier:: other: Molecular formula; C21H42O5 to C77H148O8
Identifier:: other: Molecular formula; C69H132O8 to C77H148O8
Identifier:: other: Molecular formula; C77H148O8
Identifier:: other: InChl; Example for InChI: InChI=1/C69H132O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-65(70)74-61-69(62-75-66(71)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-76-67(72)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-77-68(73)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3 and InChI=1/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3
Identifier:: other: SMILES notation; Example for SMILES code: O=C(OCC(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC and O=C(OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
Identifier:: other: SMILES notation; Example for SMILES code: O=C(OCC(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC and O=C(OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
Identifier:: other: InChl; InChI=1/C69H132O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-65(70)74-61-69(62-75-66(71)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-76-67(72)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-77-68(73)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3 and InChI=1/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3
Identifier:: other: InChl; InChI=1/C69H132O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-65(70)74-61-69(62-75-66(71)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-76-67(72)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-77-68(73)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3 and InChI=1/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3
Identifier:: other: SMILES notation; Monoester OCC(CO)(CO)COC(CCCCCCCCCCCCCCC)=O and OCC(CO)(CO)COC(CCCCCCCCCCCCCCCCC)=O Diester CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCC and CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCC Triester CCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC and CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC Tetraester O=C(OCC(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC and O=C(OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
Identifier:: other: SMILES notation; Monoester OCC(CO)(CO)COC(CCCCCCCCCCCCCCC)=O and OCC(CO)(CO)COC(CCCCCCCCCCCCCCCCC)=O Diester O=C(OCC(COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC and O=C(OCC(COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC Triester O=C(OCC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC and O=C(OCC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC Tetraester O=C(OCC(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC and O=C(OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
Identifier:: other: SMILES notation; Not applicable (UVCB substance)
Identifier:: other: InChl; Not applicable (UVCB substance)
Identifier:: other: Molecular formula; Not applicable (a generic molecular formula cannot be provided for this specific UVCB substance)
Identifier:: other: Molecular formula; Not applicable for UVCBs
Identifier:: other: SMILES notation; Not applicable for UVCBs
Identifier:: other: InChl; Not applicable for UVCBs
Identifier:: other: Molecular formula; Not applicable, substance is a UVCB.
Identifier:: other: SMILES notation; Not applicable, substance is a UVCB.
Identifier:: other: InChl; Not applicable, substance is a UVCB.
Identifier:: other: SMILES notation; O=C(OCC(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC and O=C(OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
Identifier:: other: SMILES notation; O=C(OCC(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC and O=C(OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
Identifier:: other: InChl; Representative of Tetraester: InChI=1/C69H132O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-65(70)74-61-69(62-75-66(71)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-76-67(72)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-77-68(73)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3 and InChI=1/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3
Identifier:: other: Molecular formula; cannot be determined because the substance is an UVCB substance
Identifier:: other: SMILES notation; cannot be determined because the substance is an UVCB substance
Identifier:: other: InChl; cannot be determined because the substance is an UVCB substance
Identifier:: other: Molecular formula; not applicable
Identifier:: other: SMILES notation; not applicable
Identifier:: other: InChl; not applicable
Identifier:: other: SMILES notation; not available
Identifier:: other: InChl; not available

Molecular and structural information

Molecular formula:: C69H132O8 to C77H148O8
Molecular weight:: >= 1 089.78 - <= 1 202.03
SMILES notation:: O=C(OCC(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
and
O=C(OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
InChl:: 1/C69H132O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-65(70)74-61-69(62-75-66(71)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-76-67(72)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-77-68(73)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3
and
1/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3
Structural formula:

Related substances

Identifier:: CAS number
Identity:: 85116-93-4

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