Registration Dossier
Registration Dossier
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EC number: 453-460-3 | CAS number: -
Reference substances
- IUPAC name:
- Hexanoic acid, 3,5,5-trimethyl-, 1,1'-[oxybis[2,2-bis[[(3,5,5-trimethyl-1-oxohexyl)oxy]methyl]-3,1-propanediyl]] ester
Inventory
- EC number:
- 453-460-3
- EC name:
- -
- CAS number:
- -
- Description:
- HATCOL 3365
- CAS number:
- 65870-97-5
Synonyms
- Names:
- Identifier:
- IUPAC name
- 3,5,5-trimethylhexanoic acid hexaester with dipentaerythritol
- Identifier:
- IUPAC name
- 3-{3-[(3,5,5-trimethylhexanoyl)oxy]-2,2-bis({[(3,5,5-trimethylhexanoyl)oxy]methyl})propoxy}-2,2-bis({[(3,5,5-trimethylhexanoyl)oxy]methyl})propyl 3,5,5-trimethylhexanoate
- Identifier:
- other: InChl
- InChI=1S/C64H118O13/c1-7-13-19-25-31-37-43-57(65)72-51-63(52-73-58(66)44-38-32-26-20-14-8-2,53-74-59(67)45-39-33-27-21-15-9-3)49-71-50-64(54-75-60(68)46-40-34-28-22-16-10-4,55-76-61(69)47-41-35-29-23-17-11-5)56-77-62(70)48-42-36-30-24-18-12-6/h7-56H2,1-6H3
- Identifier:
- other: SMILES notation
- O=C(OCC(COCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC)CCCCCCCC
- Identifier:
- other: SMILES notation
- non available
- Identifier:
- other: InChl
- non available
Molecular and structural information
- Molecular formula:
- C64H118O13
- Molecular weight:
- ca. 1 095.61
- SMILES notation:
- C(=O)(CC(C)CC(C)(C)C)OCC(COC(=O)CC(C)CC(C)(C)C)(COC(=O)CC(C)CC(C)(C)C)COCC(COC(=O)CC(C)CC(C)(C)C)(COC(=O)CC(C)CC(C)(C)C)COC(=O)CC(C)CC(C)(C)C
- InChl:
- 1S/C64H118O13/c1-45(31-57(7,8)9)25-51(65)72-39-63(40-73-52(66)26-46(2)32-58(10,11)12,41-74-53(67)27-47(3)33-59(13,14)15)37-71-38-64(42-75-54(68)28-48(4)34-60(16,17)18,43-76-55(69)29-49(5)35-61(19,20)21)44-77-56(70)30-50(6)36-62(22,23)24/h45-50H,25-44H2,1-24H3
- Structural formula:
Related substances
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