Registration Dossier
Registration Dossier
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EC number: 287-488-0 | CAS number: 85536-07-8
Reference substances
- IUPAC name:
- Decanoic Acid, ester with 1,2,3-propanetriol octanoate
Inventory
- EC number:
- 265-724-3
- EC name:
- Decanoic acid, ester with 1,2,3-propanetriol octanoate
- CAS number:
- 65381-09-1
- CAS number:
- 65381-09-1
Synonyms
- Names:
- Decanoic acid, ester with 1,2,3-propanetriol octanoate
- Identifier:
- IUPAC name
- 2-hydroxy-1-[(octanoyloxy)methyl]ethyl decanoate
- Identifier:
- other: SMILES notation
- CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC
- Identifier:
- other: SMILES notation
- CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC
- Identifier:
- other: InChl
- InChI=1/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-19(17-22)18-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3
- Identifier:
- other: InChl
- InChI=1S/C21H40O5/c1-3-5-7-9-10-12-13-15-20(23)25-18-19(17-22)26-21-(24)16-14-11-8-6-4-2/h19,22H,3-18H2,1-2H3 InChI=1S/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-19(17-22)18-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3 InChI=1S/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-18-19(22)17-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3
Molecular and structural information
- Molecular formula:
- C21H40O5
- Molecular weight:
- 372.539
- SMILES notation:
- CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC
CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC
CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC - InChl:
- InChI=1S/C21H40O5/c1-3-5-7-9-10-12-13-15-20(23)25-18-19(17-22)26-21(24)16-14-11-8-6-4-2/h19,22H,3-18H2,1-2H3
InChI=1S/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-19(17-22)18-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3
InChI=1S/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-18-19(22)17-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3 - Structural formula:
Related substances
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