Reaction product of esterfication of pentaerythritol with pentanoic acid, heptanoic acid and 3,5,5-trimethylhexanoic acid

General information

Identification

Display Name:

-

EC Number:

451-200-3

EC Name:

-

CAS Number:

141686-48-8

Molecular formula:

Not applicable to a UVCB

IUPAC Name:

3-(heptanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl 6,6-dimethylheptanoate

Type of substance

Composition:

UVCB

Origin:

organic

Total tonnage band

Total range:

1 000 - 10 000 tonnes per annum

REACH

Registered as:

FULL

Submitted:

Joint Submission

Publication dates

First published:

02-Jun-2018

Last modified:

29-Mar-2020

Chemical safety assessment

Performed for this substance:

YES

Compositions

451-200-3

Type:

legal entity composition of the substance

State Form:

liquid

Constituent 1

Reference substance name:

Pentaerythritol mixed tetraesters with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids; monopentanoate group

Molecular formula:

C31H56O8 – C37H68O8

IUPAC Name:

Pentaerythritol mixed tetraesters with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids; monopentanoate group

Constituent 2

Reference substance name:

Pentaerythritol mixed tetraesters with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids; dipentanoate group

Molecular formula:

C29H52O8 – C33H60O8

IUPAC Name:

Pentaerythritol mixed tetraesters with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids; dipentanoate group

Constituent 3

Reference substance name:

Pentaerythritol mixed tetraesters with heptanoic and 3,5,5 trimethylhexanoic acids

Molecular formula:

C33H60O8 – C41H76O8

IUPAC Name:

Pentaerythritol mixed tetraesters with heptanoic and 3,5,5 trimethylhexanoic acids

Constituent 4

Reference substance name:

Pentaerythritol mixed tetraesters with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids; tripentanoate group

Molecular formula:

C27H48O8 – C29H52O8

IUPAC Name:

Pentaerythritol mixed tetraesters with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids; tripentanoate group

Constituent 5

Reference substance name:

2,2-bis((pentanoyloxy)methyl)propane-1,3-diyl dipentanoate

Molecular formula:

C25H44O8

IUPAC Name:

2,2-bis((pentanoyloxy)methyl)propane-1,3-diyl dipentanoate

Constituent 6

Reference substance name:

2,6-di-tert-butyl-p-cresol

EC Number:

204-881-4

EC Name:

2,6-di-tert-butyl-p-cresol

CAS Number:

128-37-0

Molecular formula:

C15H24O

IUPAC Name:

2,6-di-tert-butyl-4-methylphenol

Constituent 7

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

CAS Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

Water

Composition 2

Type:

legal entity composition of the substance

Constituent 1

Reference substance name:

Pentaerythritol triesters of pentanoic, heptanoic and 3,5,5-trimethylhexanoic acid

Molecular formula:

C21H37O9-C33H62O9

IUPAC Name:

Pentaerythritol triesters of pentanoic, heptanoic and 3,5,5-trimethylhexanoic acid

Constituent 2

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 3

Reference substance name:

Pentaerythritol mixed tetraesters with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids; tripentanoate group

Molecular formula:

C27H48O8 – C29H52O8

IUPAC Name:

Pentaerythritol mixed tetraesters with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids; tripentanoate group

Constituent 4

Reference substance name:

Pentaerythritol mixed tetraesters with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids; dipentanoate group

Molecular formula:

C29H52O8 – C33H60O8

IUPAC Name:

Pentaerythritol mixed tetraesters with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids; dipentanoate group

Constituent 5

Reference substance name:

Pentaerythritol mixed tetraesters with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids; monopentanoate group

Molecular formula:

C31H56O8 – C37H68O8

IUPAC Name:

Pentaerythritol mixed tetraesters with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids; monopentanoate group

Constituent 6

Reference substance name:

Pentaerythritol mixed tetraesters with heptanoic and 3,5,5 trimethylhexanoic acids

Molecular formula:

C33H60O8 – C41H76O8

IUPAC Name:

Pentaerythritol mixed tetraesters with heptanoic and 3,5,5 trimethylhexanoic acids

Constituent 7

Reference substance name:

Uknown constituents/Impurities

Molecular formula:

Not applicable

IUPAC Name:

Uknown constituents/Impurities

451-200-3

Type:

legal entity composition of the substance

Constituent 1

Reference substance name:

Pentaerythritol mixed tetraesters with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids; monopentanoate group

Molecular formula:

C31H56O8 – C37H68O8

IUPAC Name:

Pentaerythritol mixed tetraesters with pentanoic, heptanoic and 3,5,5 trimethylhexanoic acids; monopentanoate group

Constituent 2