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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Identification

Chemical structure
Display Name:
Heptanoic acid, mixed esters with pentaerythritol and valeric acid
CAS Number:
68441-94-1
Molecular formula:
C25H44O8 to C33H60O8
IUPAC Name:
Heptanoic acid, mixed esters with pentaerythritol and valeric acid

Type of Substance

Composition:
UVCB
Origin:
organic

Substance Identifiers open all close all

  • Hatcol 3318
  • Compositions

    Boundary Composition(s)

    Legal Entity Composition(s) open all close all



    Constituent 1
    Chemical structure
    Reference substance name:
    Heptanoic acid 2-heptanoyloxymethyl-3-pentanoyloxy-2-pentanoyloxymethyl-propyl
    Molecular formula:
    C29H53O8
    IUPAC Name:
    Heptanoic acid 2-heptanoyloxymethyl-3-pentanoyloxy-2-pentanoyloxymethyl-propyl
    Constituent 2
    Chemical structure
    Reference substance name:
    2,2-bis[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate
    EC Number:
    247-279-7
    EC Name:
    2,2-bis[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate
    CAS Number:
    25811-35-2
    Molecular formula:
    C33H60O8
    IUPAC Name:
    3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propyl heptanoate (non-preferred name)
    Constituent 3
    Chemical structure
    Reference substance name:
    2,2-bis[[(1-oxopentyl)oxy]methyl]propane-1,3-diyl divalerate
    EC Number:
    239-937-7
    EC Name:
    2,2-bis[[(1-oxopentyl)oxy]methyl]propane-1,3-diyl divalerate
    CAS Number:
    15834-04-5
    Molecular formula:
    C25H44O8
    IUPAC Name:
    3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl valerate (non-preferred name)
    Constituent 4
    Reference substance name:
    unknown constituents
    IUPAC Name:
    unknown constituents
    Constituent 5
    Chemical structure
    Reference substance name:
    Heptanoic acid 3-pentanoyloxy-2,2-bis-pentanoyloxymethyl-propyl ester
    Molecular formula:
    C27H48O8
    IUPAC Name:
    Heptanoic acid 3-pentanoyloxy-2,2-bis-pentanoyloxymethyl-propyl ester

    Composition(s) generated upon use

    Other types of composition(s)