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REACH

Reaction product of 3,5,5-trimethyl-hexanoic acid and 2-methylpropanoic acid and pentaerythritol

EC number: 813-120-0 | CAS number: 1262967-45-2

Life Cycle description
Uses advised against

Reference substances

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IUPAC name:: 3-[(2-methylpropanoyl)oxy]-2,2-bis({[(2-methylpropanoyl)oxy]methyl})propyl 2-methylpropanoate; 3-[(2-methylpropanoyl)oxy]-2,2-bis({[(2-methylpropanoyl)oxy]methyl})propyl 3,5,5-trimethylhexanoate; 3-[(2-methylpropanoyl)oxy]-2,2-bis({[(3,5,5-trimethylhexanoyl)oxy]methyl})propyl 3,5,5-trimethylhexanoate; 3-[(2-methylpropanoyl)oxy]-2-{[(2-methylpropanoyl)oxy]methyl}-2-{[(3,5,5-trimethylhexanoyl)oxy]methyl}propyl 3,5,5-trimethylhexanoate; 3-[(3,5,5-trimethylhexanoyl)oxy]-2,2-bis({[(3,5,5-trimethylhexanoyl)oxy]methyl})propyl 3,5,5-trimethylhexanoate

Inventory

CAS number:

1262967-45-2

Synonyms

Names:
Identifier:: EC name; Tetraesters of pentaerythritol with 2- methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid
Identifier:: EC number; 813-120-0; Reaction product of 3,5,5-trimethyl-hexanoic acid and 2-methylpropanoic acid and pentaerythritol

Molecular and structural information

Molecular formula:: C21H36O8
C26H46O8
C31H56O8
C36H66O8
C41H76O8
Molecular weight:: >= 416.506 - <= 697.037
SMILES notation:: O=C(OCC(COC(=O)C(C)C)(COC(=O)C(C)C)COC(=O)C(C)C)C(C)C
O=C(OCC(COC(=O)C(C)C)(COC(=O)CC(C)CC(C)(C)C)COC(=O)C(C)C)C(C)C
O=C(OCC(COC(=O)C(C)C)(COC(=O)CC(C)CC(C)(C)C)COC(=O)CC(C)CC(C)(C)C)C(C)C
O=C(OCC(COC(=O)CC(C)CC(C)(C)C)(COC(=O)CC(C)CC(C)(C)C)COC(=O)CC(C)CC(C)(C)C)C(C)C
O=C(CC(C)CC(C)(C)C)OCC(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/C21H36O8/c1-13(2)17(22)26-9-21(10-27-18(23)14(3)4,11-28-19(24)15(5)6)12-29-20(25)16(7)8/h13-16H,9-12H2,1-8H3
+ 1S/C26H46O8/c1-17(2)22(28)32-14-26(15-33-23(29)18(3)4,16-34-24(30)19(5)6)13-31-21(27)11-20(7)12-25(8,9)10/h17-20H,11-16H2,1-10H3
+ 1S/C31H56O8/c1-21(2)27(34)38-19-31(20-39-28(35)22(3)4,17-36-25(32)13-23(5)15-29(7,8)9)18-37-26(33)14-24(6)16-30(10,11)12/h21-24H,13-20H2,1-12H3
+ 1S/C36H66O8/c1-25(2)32(40)44-24-36(21-41-29(37)15-26(3)18-33(6,7)8,22-42-30(38)16-27(4)19-34(9,10)11)23-43-31(39)17-28(5)20-35(12,13)14/h25-28H,15-24H2,1-14H3
+ 1S/C41H76O8/c1-29(21-37(5,6)7)17-33(42)46-25-41(26-47-34(43)18-30(2)22-38(8,9)10,27-48-35(44)19-31(3)23-39(11,12)13)28-49-36(45)20-32(4)24-40(14,15)16/h29-32H,17-28H2,1-16H3
Structural formula:

Related substances

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