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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
Reaction mass of 1-{3-(heptyloxy)-2,2-bis[(pentyloxy)methyl]propoxy}heptane and 1-{3-(heptyloxy)-2-[(heptyloxy)methyl]-2-[(pentyloxy)methyl]propoxy}heptane and 1-{3-(pentyloxy)-2,2-bis[(pentyloxy)methyl]propoxy}heptane

Inventory

CAS number:
68441-94-1
Synonyms
Names:
Identifier:
EC number
812-653-6
Identifier:
IUPAC name
Reaction mass of 1-{3-(heptyloxy)-2,2-bis[(pentyloxy)methyl]propoxy}heptane and 1-{3-(heptyloxy)-2-[(heptyloxy)methyl]-2- [(pentyloxy)methyl]propoxy}heptane and 1-{3-(pentyloxy)-2,2 bis[(pentyloxy)methyl]propoxy}heptane
Identifier:
IUPAC name
Reaction mass of 1-{3-(heptyloxy)-2,2-bis[(pentyloxy)methyl]propoxy}heptane and1-{3-(heptyloxy)-2-[(heptyloxy)methyl]-2-[(pentyloxy)methyl]propoxy}heptane and 1-{3-(pentyloxy)-2,2bis[(pentyloxy)methyl]propoxy}heptane
Identifier:
IUPAC name
Reaction mass of 2,2-bis[(pentanoyloxy)methyl]propane-1,3-diyl diheptanoate and 2-[(heptanoyloxy)methyl]-2-[(pentanoyloxy)methyl]propane-1,3-diyl diheptanoate and 3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl heptanoate
Identifier:
IUPAC name
Reaction mass of Heptanoic acid 3-pentanoyloxy-2,2-bis-pentanoyloxymethyl-propyl ester, Heptanoic acid 2-heptanoyloxymethyl-3-pentanoyloxy-2-pentanoyloxymethyl-propyl ester and Heptanoic acid 3-heptanoyloxy-2-heptanoyloxymethyl-2-pentanoyloxymethyl-propyl ester (former CAS 68441-94-1)
Identifier:
other: Molecular formula
C25H44O8 to C33H60O8
Identifier:
other: Molecular formula
C25H44O8 to C33H60O8
Identifier:
other: SMILES notation
CCCCC(OCC(COC(CCCC)=O)(COC(CCCC)=O)COC(CCCC)=O)=O to CCCCCCC(OCC(COC(CCCCCC)=O)(COC(CCCCCC)=O)COC(CCCCCC)=O)=O
Identifier:
other: SMILES notation
CCCCCCC(OCC(COC(CCCCCC)=O)(COC(CCCCCC)=O)COC(CCCCCC)=O)=O
Identifier:
other: Molecular formula
Not available, since the substance is a multi-constituent substance. See relevant information for each component.
Identifier:
other: SMILES notation
Not available, since the substance is a multi-constituent substance. See relevant information for each component.
Identifier:
other: Name
Reaction mass of Heptanoic acid 3-pentanoyloxy-2,2-bis-pentanoyloxymethyl-propyl ester, Heptanoic acid 2-heptanoyloxymethyl-3-pentanoyloxy-2-pentanoyloxymethyl-propyl ester and Heptanoic acid 3-heptanoyloxy-2-heptanoyloxymethyl-2-pentanoyloxymethyl-propyl ester (former CAS 68441-94-1)
Identifier:
other: Molecular formula
not applicable, the substance is UVCB

Molecular and structural information

Molecular formula:
not applicable multi constituent
Molecular weight:
>= 472.61 - <= 548.82
SMILES notation:
not applicable multi constituent
InChl:
Not available, since the substance is a multi-constituent substance. See relevant information for each component.
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
68441-94-1