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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
-
EC Number:
451-190-0
EC Name:
-
CAS Number:
156558-98-4
Molecular formula:
C25H44O8 to C43H80O8
IUPAC Name:
3-(heptanoyloxy)-2-[(heptanoyloxy)methyl]-2-[(pentanoyloxy)methyl]propyl octanoate

Type of Substance

Composition:
UVCB
Origin:
organic

Substance Identifiers

Compositions

Boundary Composition(s) open all close all

State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
C6-C12 alkylcarboxyllic acid
CAS Number:
8040-17-3
Molecular formula:
C6-12H12-12O2
IUPAC Name:
C6-C12 alkylcarboxyllic acid
Constituent 2
Chemical structure
Reference substance name:
Valeric acid
EC Number:
203-677-2
EC Name:
Valeric acid
CAS Number:
109-52-4
Molecular formula:
C5H10O2
IUPAC Name:
valeric acid
Constituent 3
Chemical structure
Reference substance name:
Pentaerythritol
EC Number:
204-104-9
EC Name:
Pentaerythritol
CAS Number:
115-77-5
Molecular formula:
C5H12O4
IUPAC Name:
pentaerythritol
Constituent 4
Chemical structure
Reference substance name:
Heptanoic acid
EC Number:
203-838-7
EC Name:
Heptanoic acid
CAS Number:
111-14-8
Molecular formula:
C7H14O2
IUPAC Name:
heptanoic acid
Constituent 5
Chemical structure
Reference substance name:
3,5,5-trimethylhexanoic acid
EC Number:
221-975-0
EC Name:
3,5,5-trimethylhexanoic acid
CAS Number:
3302-10-1
Molecular formula:
C9H18O2
IUPAC Name:
3,5,5-trimethylhexanoic acid

Legal Entity Composition(s) open all close all

State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
C6-C12 alkylcarboxyllic acid
CAS Number:
8040-17-3
Molecular formula:
C6-12H12-12O2
IUPAC Name:
C6-C12 alkylcarboxyllic acid
Constituent 2
Chemical structure
Reference substance name:
Valeric acid
EC Number:
203-677-2
EC Name:
Valeric acid
CAS Number:
109-52-4
Molecular formula:
C5H10O2
IUPAC Name:
valeric acid
Constituent 3
Chemical structure
Reference substance name:
Pentaerythritol
EC Number:
204-104-9
EC Name:
Pentaerythritol
CAS Number:
115-77-5
Molecular formula:
C5H12O4
IUPAC Name:
pentaerythritol
Constituent 4
Chemical structure
Reference substance name:
Heptanoic acid
EC Number:
203-838-7
EC Name:
Heptanoic acid
CAS Number:
111-14-8
Molecular formula:
C7H14O2
IUPAC Name:
heptanoic acid
Constituent 5
Chemical structure
Reference substance name:
3,5,5-trimethylhexanoic acid
EC Number:
221-975-0
EC Name:
3,5,5-trimethylhexanoic acid
CAS Number:
3302-10-1
Molecular formula:
C9H18O2
IUPAC Name:
3,5,5-trimethylhexanoic acid
State Form:
liquid


Constituent 1
Reference substance name:
[3-pentanoyloxy-2,2-bis(pentanoyloxymethyl)propyl] pentanoate
Molecular formula:
C25H44O8 to C40H74O8
IUPAC Name:
[3-pentanoyloxy-2,2-bis(pentanoyloxymethyl)propyl] pentanoate
Constituent 2
Reference substance name:
2,2-Bis(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl bisheptanoate
Molecular formula:
C33H60O8, C27H48O8, C42H78O8
IUPAC Name:
2,2-Bis(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl bisheptanoate
Constituent 3
Reference substance name:
[3-octanoyloxy-2,2-bis(octanoyloxymethyl)propyl] octanoate
Molecular formula:
C37H68O8, C28H50O8, C43H80O8
IUPAC Name:
[3-octanoyloxy-2,2-bis(octanoyloxymethyl)propyl] octanoate
Constituent 4
Reference substance name:
[3-(3,5,5-trimethylhexanoyloxy)-2,2-bis(3,5,5-trimethylhexanoyloxymethyl)propyl] hexanoate
Molecular formula:
C41H76O8, C44H82O8, C29H52O8
IUPAC Name:
[3-(3,5,5-trimethylhexanoyloxy)-2,2-bis(3,5,5-trimethylhexanoyloxymethyl)propyl] hexanoate
Constituent 5
Reference substance name:
[3-decanoyloxy-2,2-bis(decanoyloxymethyl)propyl] decanoate
Molecular formula:
C45H84O8, C30H54O8
IUPAC Name:
[3-decanoyloxy-2,2-bis(decanoyloxymethyl)propyl] decanoate


Constituent 1
Chemical structure
Reference substance name:
2-((heptanoyloxy)methyl)-2-((pentanoyloxy)methyl)propane-1,3-diyl dipentanoate
Molecular formula:
C27H48O8
IUPAC Name:
2-((heptanoyloxy)methyl)-2-((pentanoyloxy)methyl)propane-1,3-diyl dipentanoate
Constituent 2
Chemical structure
Reference substance name:
2,2-bis((pentanoyloxy)methyl)propane-1,3-diyl diheptanoate
Molecular formula:
C29H52O8
IUPAC Name:
2,2-bis((pentanoyloxy)methyl)propane-1,3-diyl diheptanoate
Constituent 3
Chemical structure
Reference substance name:
2-((heptanoyloxy)methyl)-2-((octanoyloxy)methyl)propane-1,3-diyl dipentanoate
Molecular formula:
C30H54O8
IUPAC Name:
2-((heptanoyloxy)methyl)-2-((octanoyloxy)methyl)propane-1,3-diyl dipentanoate
Constituent 4
Chemical structure
Reference substance name:
2-((heptanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propane-1,3-diyl dipentanoate
Molecular formula:
C31H56O8
IUPAC Name:
2-((heptanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propane-1,3-diyl dipentanoate
Constituent 5
Chemical structure
Reference substance name:
2-((decanoyloxy)methyl)-2-((heptanoyloxy)methyl)propane-1,3-diyl dipentanoate
Molecular formula:
C32H58O8
IUPAC Name:
2-((decanoyloxy)methyl)-2-((heptanoyloxy)methyl)propane-1,3-diyl dipentanoate
Constituent 6
Chemical structure
Reference substance name:
2-((pentanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propane-1,3-diyl diheptanoate
Molecular formula:
C33H60O8
IUPAC Name:
2-((pentanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propane-1,3-diyl diheptanoate
Constituent 7
Chemical structure
Reference substance name:
3-(heptanoyloxy)-2-((pentanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propyl octanoate
Molecular formula:
C34H62O8
IUPAC Name:
3-(heptanoyloxy)-2-((pentanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propyl octanoate
Constituent 8
Chemical structure
Reference substance name:
3-(heptanoyloxy)-2-((octanoyloxy)methyl)-2-((pentanoyloxy)methyl)propyl decanoate
Molecular formula:
C35H64O8
IUPAC Name:
3-(heptanoyloxy)-2-((octanoyloxy)methyl)-2-((pentanoyloxy)methyl)propyl decanoate
Constituent 9
Chemical structure
Reference substance name:
3-(heptanoyloxy)-2-((pentanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propyl decanoate
Molecular formula:
C36H66O8
IUPAC Name:
3-(heptanoyloxy)-2-((pentanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propyl decanoate
Constituent 10
Chemical structure
Reference substance name:
Not applicable
Molecular formula:
No exact formula - complex mixture
IUPAC Name:
Not applicable
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
2-((heptanoyloxy)methyl)-2-((pentanoyloxy)methyl)propane-1,3-diyl dipentanoate
Molecular formula:
C27H48O8
IUPAC Name:
2-((heptanoyloxy)methyl)-2-((pentanoyloxy)methyl)propane-1,3-diyl dipentanoate
Constituent 2
Chemical structure
Reference substance name:
2,2-bis((pentanoyloxy)methyl)propane-1,3-diyl diheptanoate
Molecular formula:
C29H52O8
IUPAC Name:
2,2-bis((pentanoyloxy)methyl)propane-1,3-diyl diheptanoate
Constituent 3
Chemical structure
Reference substance name:
2-((heptanoyloxy)methyl)-2-((octanoyloxy)methyl)propane-1,3-diyl dipentanoate
Molecular formula:
C30H54O8
IUPAC Name:
2-((heptanoyloxy)methyl)-2-((octanoyloxy)methyl)propane-1,3-diyl dipentanoate
Constituent 4
Chemical structure
Reference substance name:
2-((heptanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propane-1,3-diyl dipentanoate
Molecular formula:
C31H56O8
IUPAC Name:
2-((heptanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propane-1,3-diyl dipentanoate
Constituent 5
Chemical structure
Reference substance name:
2-((decanoyloxy)methyl)-2-((heptanoyloxy)methyl)propane-1,3-diyl dipentanoate
Molecular formula:
C32H58O8
IUPAC Name:
2-((decanoyloxy)methyl)-2-((heptanoyloxy)methyl)propane-1,3-diyl dipentanoate
Constituent 6
Chemical structure
Reference substance name:
2-((pentanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propane-1,3-diyl diheptanoate
Molecular formula:
C33H60O8
IUPAC Name:
2-((pentanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propane-1,3-diyl diheptanoate
Constituent 7
Chemical structure
Reference substance name:
3-(heptanoyloxy)-2-((pentanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propyl octanoate
Molecular formula:
C34H62O8
IUPAC Name:
3-(heptanoyloxy)-2-((pentanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propyl octanoate
Constituent 8
Chemical structure
Reference substance name:
3-(heptanoyloxy)-2-((octanoyloxy)methyl)-2-((pentanoyloxy)methyl)propyl decanoate
Molecular formula:
C35H64O8
IUPAC Name:
3-(heptanoyloxy)-2-((octanoyloxy)methyl)-2-((pentanoyloxy)methyl)propyl decanoate
Constituent 9
Chemical structure
Reference substance name:
3-(heptanoyloxy)-2-((pentanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propyl decanoate
Molecular formula:
C36H66O8
IUPAC Name:
3-(heptanoyloxy)-2-((pentanoyloxy)methyl)-2-(((3,5,5-trimethylhexanoyl)oxy)methyl)propyl decanoate
Constituent 10
Chemical structure
Reference substance name:
Not applicable
Molecular formula:
No exact formula - complex mixture
IUPAC Name:
Not applicable

Composition(s) generated upon use

Other types of composition(s)