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Reference substances

Currently viewing:
IUPAC name:
Castor oil, hydrogenated

Inventory

EC number:
232-292-2
EC name:
Castor oil, hydrogenated
CAS number:
8001-78-3
CAS number:
8001-78-3
Synonyms
Names:
1,2,3-Propanetriol tri(12-hydroxystearate)
Hydrogenated Castor Oil
Octadecanoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester
Trihydroxystearin
Identifier:
CAS number
8001-78-3
Identifier:
CAS number
8001-78-3
Identifier:
EC name
Castor oil, hydrogenated
Identifier:
EC number
232-292-2
Identifier:
IUPAC name
-
Identifier:
IUPAC name
1,3-bis[(12-hydroxyoctadecanoyl)oxy]propan-2-yl 12-hydroxyoctadecanoate
Identifier:
IUPAC name
1,3-bis[(12-hydroxyoctadecanoyl)oxy]propan-2-yl 12-hydroxyoctadecanoate
Identifier:
IUPAC name
2,3-bis(12-hydroxyoctadecanoyloxy)propyl 12-hydroxyoctadecanoate
Identifier:
IUPAC name
2,3-bis(12-hydroxyoctadecanoyloxy)propyl 12-hydroxyoctadecanoate
Identifier:
IUPAC name
232-292-2
Identifier:
IUPAC name
Castor Oil, hydrogenated
Identifier:
IUPAC name
Castor oiil, hydrogenated
Identifier:
IUPAC name
Castor oil, hydrogenated
Identifier:
IUPAC name
Hydrogenated Castor Oil
Identifier:
IUPAC name
Hydrogenated castor oil
Identifier:
IUPAC name
Not applicable
Identifier:
IUPAC name
Triglyceride ester of 12-hydroxy octadecanoic acid
Identifier:
IUPAC name
not available
Identifier:
IUPAC name
propane-1,2,3-triyl tris(12-hydroxyoctadecanoate)
Identifier:
ChemSpider ID
23447
Identifier:
other: Molecular formula
C57H110O9
Identifier:
other: SMILES notation
Examples for SMILES notation: CCCCCCC(O)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(O)CCCCCC)OC(=O)CCCCCCCCCCC(O)CCCCCC
Identifier:
other: Molecular formula
C57H104O9 to C57H110O9
Identifier:
other: Molecular formula
C57H110O9
Identifier:
other: Molecular formula
C57H110O9 (main component)
Identifier:
other: SMILES notation
CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(CCCCCC)O)OC(=O)CCCCCCCCCCC(CCCCCC)O)O
Identifier:
other: SMILES notation
CCCCCCC(O)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(O)CCCCCC)OC(=O)CCCCCCCCCCC(O)CCCCCC
Identifier:
other: SMILES notation
CCCCCCC(O)CCCCCCCCCCC(OC(COC(CCCCCCCCCCC(O)CCCCCC)=O)COC(CCCCCCCCCCC(O)CCCCCC)=O)=O
Identifier:
other: Molecular formula
Example: C57H110O9
Identifier:
other: InChl
Examples for InChI: InChI=1/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25+,35-26+,36-27+ and InChI=1/C57H110O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h51-54,58-60H,4-50H2,1-3H3
Identifier:
other: InChl
Examples for InChI:InChI=1/C57H110O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h51-54,58-60H,4-50H2,1-3H3
Identifier:
other: SMILES notation
Examples for SMILES notation: O=C(CCCCCCCC=CCC(O)CCCCCC)OCC(OC(CCCCCCCC=CCC(O)CCCCCC)=O)COC(CCCCCCCC=CCC(O)CCCCCC)=O and O=C(CCCCCCCCCCC(O)CCCCCC)OCC(OC(CCCCCCCCCCC(O)CCCCCC)=O)COC(CCCCCCCCCCC(O)CCCCCC)=O
Identifier:
other: SMILES notation
Examples for SMILES notation:CCCCCCC(O)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(O)CCCCCC)OC(=O)CCCCCCCCCCC(O)CCCCCC
Identifier:
other: SMILES notation
Main constituent CCCCCCC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC(CCCCCC)O)COC(=O)CCCCCCCCCCC(CCCCCC)O)O
Identifier:
other: Molecular formula
Not relevant for UVCB substance
Identifier:
other: SMILES notation
Not relevant for UVCB substance
Identifier:
other: InChl
Not relevant for UVCB substance
Identifier:
other: SMILES notation
O=C(OCC(OC(=O)CCCCCCCCCCC(O)CCCCCC)COC(=O)CCCCCCCCCCC(O)CCCCCC)CCCCCCCCCCC(O)CCCCCC
Identifier:
other: SMILES notation
Structure 1 CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(CCCCCC)O)OC(=O)CCCCCCCCCCC(CCCCCC)O)O Model Structure 2 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(CCCCCC)O)OC(=O)CCCCCCCCCCC(CCCCCC)O Model Structure 3 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(CCCCCC)O
Identifier:
other: Molecular formula
Unspecified
Identifier:
other: Molecular formula
main constituent C57H110O9
8001-78-3

Molecular and structural information

Molecular formula:
C57H110O9
Molecular weight:
939.5
SMILES notation:
Examples for SMILES notation:

CCCCCCC(O)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(O)CCCCCC)OC(=O)CCCCCCCCCCC(O)CCCCCC
InChl:
Examples for InChI:
InChI=1/C57H110O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h51-54,58-60H,4-50H2,1-3H3
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
81544-51-6

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