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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Inventory

EC number:
247-891-4
EC name:
Sorbitan tristearate
CAS number:
26658-19-5
CAS number:
26658-19-5
Synonyms
Names:
Sorbitan, trioctadecanoate
Identifier:
IUPAC name
1,3,6-tri-O-stearoylhexitol
Identifier:
IUPAC name
Sorbitol/sorbitan tri- and higher esters with C16-18 (even numbered) fatty acids
Identifier:
IUPAC name
[2-(3-hydroxy-4-octadecanoyloxyoxolan-2-yl)-2-octadecanoyloxyethyl] octadecanoate
Identifier:
other: InChl
1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59+,60+/m0/s1
Identifier:
other: Molecular formula
C60-H114-O8
Identifier:
other: Molecular formula
C60H114O8
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCC(=O)OCC(O)C(O)C(OC(=O)CCCCCCCCCCCCCCCCC)C(O)COC(=O)CCCCCCCCCCCCCCCCC
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]1OC[C@H](O)[C@H]1OC(=O)CCCCCCCCCCCCCCCCC
Identifier:
other: InChl
InChI=1/C60H116O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(63)67-52-54(61)59(66)60(69-58(65)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(62)53-68-57(64)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-62,66H,4-53H2,1-3H3
Identifier:
other: InChl
InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(61)65-53-55(68-58(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)60-59(64)54(52-66-60)67-57(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-60,64H,4-53H2,1-3H3

Molecular and structural information

Molecular formula:
Molecular formula cannot be given as substance is a mixture.
Molecular weight:
981.558
SMILES notation:
SMILES notation cannot be given as substance is a mixture.
InChl:
Not applicable (UVCB substance)
Structural formula:
Chemical structure

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