Registration Dossier
Registration Dossier
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EC number: 267-021-7 | CAS number: 67762-52-1
Reference substances
- IUPAC name:
- Tetraesters from esterification of pentaerythritol with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids
Inventory
- EC number:
- 270-290-3
- EC name:
- Fatty acids, C5-9, esters with pentaerythritol
- CAS number:
- 68424-30-6
- CAS number:
- 68424-30-6
Synonyms
- Names:
- Identifier:
- IUPAC name
- Tetraesters from esterification of pentaerythritol with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids
Molecular and structural information
- Molecular formula:
- C25H44O8 to C41H76O8
- Molecular weight:
- 473 - 697
- SMILES notation:
- Example for SMILES code:
O=C(OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC)CCCC
and
O=C(OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC)CCCCCCCC - InChl:
- Example for InChI:
InChI=1/C25H44O8/c1-5-9-13-21(26)30-17-25(18-31-22(27)14-10-6-2,19-32-23(28)15-11-7-3)20-33-24(29)16-12-8-4/h5-20H2,1-4H3
and
InChI=1/C41H76O8/c1-5-9-13-17-21-25-29-37(42)46-33-41(34-47-38(43)30-26-22-18-14-10-6-2,35-48-39(44)31-27-23-19-15-11-7-3)36-49-40(45)32-28-24-20-16-12-8-4/h5-36H2,1-4H3
Related substances
- Identifier:
- CAS number
- Identity:
- 162393-07-9
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