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Reference substances

Reference substances

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General information

Inventory

EC number:
239-937-7
EC name:
2,2-bis[[(1-oxopentyl)oxy]methyl]propane-1,3-diyl divalerate
CAS number:
15834-04-5

No inventory information available

Reference substance information

IUPAC name:
3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl pentanoate
Synonyms
Names:
Pentanoic acid, 2,2-bis (1-oxopentyl)oxy methyl -1,3-propanediyl ester
Pentanoic acid, 2,2-bis[[(1-oxopentyl)oxy]methyl]-1,3-propanediyl ester
Identifier:
CAS number
15834-04-5
Identifier:
IUPAC name
3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl pentanoate
Identifier:
IUPAC name
3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl valerate (non-preferred name)
Identifier:
other: InChl
1S/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
Identifier:
other: Molecular formula
C25H44O
3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl valerate

CAS information

CAS number:
15834-04-5

Molecular and structural information

Molecular formula:
C25H44O8
Molecular weight:
472.612
SMILES notation:
CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC
InChl:
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
Structural formula:
Chemical structure