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IUPAC name:
Reaction mass of bis(2-ethylhexyl) hydrogen phosphate and 2-ethylhexyl dihydrogen phosphate and esters of 2-ethylhexan-1-ol with diphosphoric acid

Inventory

EC number:
235-741-0
EC name:
Phosphoric acid, 2-ethylhexyl ester
CAS number:
12645-31-7
CAS number:
12645-31-7

Synonyms

Molecular and structural information

Molecular formula:
Mono-Ester: C8H19O4P
Di-Ester: C16H35O4P
Esters of 2-ethylhexan-1-ol with diphosphoric acid: P2O7(H)4-n(C8H17)n where n = 1-4
Molecular weight:
> 210.21 - < 626.9
SMILES notation:
Mono-Ester: OP(OCC(CC)CCCC)(O)=O
Di-Ester: O=P(OCC(CC)CCCC)(O)OCC(CC)CCCC
Esters of 2-ethylhexan-1-ol with diphosphoric acid: Not applicable
InChl:
Mono-Ester InChI: 1S/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
Di-Ester InChI: 1S/C16H35O4P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)
Esters of 2-ethylhexan-1-ol with diphosphoric acid InChl: Not applicable
Structural formula:
Chemical structure

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