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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
Dipentaerythritol hexaesters of 3,5,5-trimethylhexanoic and n-heptanoic acids
EC Number:
945-883-1
CAS Number:
1379424-11-9
IUPAC Name:
Dipentaerythritol hexaesters of 3,5,5-trimethylhexanoic and n-heptanoic acids

Type of Substance

Composition:
UVCB
Origin:
organic

Substance Identifiers

Compositions

Boundary Composition(s) open all close all

State Form:
liquid


Constituent 1
Reference substance name:
Pentaerythritol mixed esters with heptanoic acid and 3,5,5-trimethylhexanoic acid
IUPAC Name:
Pentaerythritol mixed esters with heptanoic acid and 3,5,5-trimethylhexanoic acid
Constituent 2
Chemical structure
Reference substance name:
2-[[3-[(1-oxoheptyl)oxy]-2,2-bis[[(1-oxoheptyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate
EC Number:
278-580-1
EC Name:
2-[[3-[(1-oxoheptyl)oxy]-2,2-bis[[(1-oxoheptyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate
CAS Number:
76939-66-7
Molecular formula:
C52H94O13
IUPAC Name:
3-(heptanoyloxy)-2-({3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propoxy}methyl)-2-[(heptanoyloxy)methyl]propyl heptanoate (non-preferred name)
Constituent 3
Chemical structure
Reference substance name:
dipentaerythritol pentaheptanoate and monotrimethylhexanoate, mixed esters
Molecular formula:
C54H98O13
IUPAC Name:
dipentaerythritol pentaheptanoate and monotrimethylhexanoate, mixed esters
Constituent 4
Chemical structure
Reference substance name:
dipentaerythritol tetraheptanoate and di-trimethylhexanoate, mixed esters
Molecular formula:
C56H102O13
IUPAC Name:
dipentaerythritol tetraheptanoate and di-trimethylhexanoate, mixed esters
Constituent 5
Chemical structure
Reference substance name:
dipentaerythritol triaheptanoate and tri-trimethylhexanoate, mixed esters
Molecular formula:
C58H106O13
IUPAC Name:
dipentaerythritol triaheptanoate and tri-trimethylhexanoate, mixed esters
Constituent 6
Chemical structure
Reference substance name:
dipentaerythritol diheptanoate and tetra-trimethylhexanoate, mixed esters
Molecular formula:
C60H110O13
IUPAC Name:
dipentaerythritol diheptanoate and tetra-trimethylhexanoate, mixed esters
Constituent 7
Chemical structure
Reference substance name:
dipentaerythritol monoheptanoate and penta-trimethylhexanoate, mixed esters
Molecular formula:
C62H114O13
IUPAC Name:
dipentaerythritol monoheptanoate and penta-trimethylhexanoate, mixed esters
Constituent 8
Chemical structure
Reference substance name:
-
EC Number:
453-460-3
EC Name:
-
Molecular formula:
C64H118O13
IUPAC Name:
dipentaerythritol, hexaester with 3,5,5-trimethylhexaoic acid
Constituent 9
Reference substance name:
Tripentaerythritol mixed esters with heptanoic acid and 3,5,5-trimethylhexanoic acid
IUPAC Name:
Tripentaerythritol mixed esters with heptanoic acid and 3,5,5-trimethylhexanoic acid

Legal Entity Composition(s) open all close all

State Form:
liquid


Constituent 1
Reference substance name:
Pentaerythritol mixed esters with heptanoic acid and 3,5,5-trimethylhexanoic acid
IUPAC Name:
Pentaerythritol mixed esters with heptanoic acid and 3,5,5-trimethylhexanoic acid
Constituent 2
Chemical structure
Reference substance name:
2-[[3-[(1-oxoheptyl)oxy]-2,2-bis[[(1-oxoheptyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate
EC Number:
278-580-1
EC Name:
2-[[3-[(1-oxoheptyl)oxy]-2,2-bis[[(1-oxoheptyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate
CAS Number:
76939-66-7
Molecular formula:
C52H94O13
IUPAC Name:
3-(heptanoyloxy)-2-({3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propoxy}methyl)-2-[(heptanoyloxy)methyl]propyl heptanoate (non-preferred name)
Constituent 3
Chemical structure
Reference substance name:
dipentaerythritol pentaheptanoate and monotrimethylhexanoate, mixed esters
Molecular formula:
C54H98O13
IUPAC Name:
dipentaerythritol pentaheptanoate and monotrimethylhexanoate, mixed esters
Constituent 4
Chemical structure
Reference substance name:
dipentaerythritol tetraheptanoate and di-trimethylhexanoate, mixed esters
Molecular formula:
C56H102O13
IUPAC Name:
dipentaerythritol tetraheptanoate and di-trimethylhexanoate, mixed esters
Constituent 5
Chemical structure
Reference substance name:
dipentaerythritol triaheptanoate and tri-trimethylhexanoate, mixed esters
Molecular formula:
C58H106O13
IUPAC Name:
dipentaerythritol triaheptanoate and tri-trimethylhexanoate, mixed esters
Constituent 6
Chemical structure
Reference substance name:
dipentaerythritol diheptanoate and tetra-trimethylhexanoate, mixed esters
Molecular formula:
C60H110O13
IUPAC Name:
dipentaerythritol diheptanoate and tetra-trimethylhexanoate, mixed esters
Constituent 7
Chemical structure
Reference substance name:
dipentaerythritol monoheptanoate and penta-trimethylhexanoate, mixed esters
Molecular formula:
C62H114O13
IUPAC Name:
dipentaerythritol monoheptanoate and penta-trimethylhexanoate, mixed esters
Constituent 8
Chemical structure
Reference substance name:
-
EC Number:
453-460-3
EC Name:
-
Molecular formula:
C64H118O13
IUPAC Name:
dipentaerythritol, hexaester with 3,5,5-trimethylhexaoic acid
Constituent 9
Reference substance name:
Tripentaerythritol mixed esters with heptanoic acid and 3,5,5-trimethylhexanoic acid
IUPAC Name:
Tripentaerythritol mixed esters with heptanoic acid and 3,5,5-trimethylhexanoic acid

Composition(s) generated upon use

Other types of composition(s)