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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Additional information

REACH Annex XI, Paragraph 1.5 on Grouping of substances and read-across approach states as follows:

Substances whose physicochemical, toxicological and ecotoxicological properties are likely to be similar or follow a

regular pattern as a result of structural similarity may be considered as a group, or ‘category’ of substances. Application

of the group concept requires that physicochemical properties, human health effects and environmental effects or environmental fate may be predicted from data for reference substance(s) within the group by interpolation to other substances in the group (read-across approach). This avoids the need to test every substance for every endpoint. The Agency, after consulting with relevant stakeholders and other interested parties, shall issue guidance on technically and scientifically justified methodology for the grouping of substances sufficiently in advance of the first registration deadline for phase-in substances.

The similarities may be based on:

(1) a common functional group;

(2) the common precursors and/or the likelihood of common breakdown products via physical and biological

processes, which result in structurally similar chemicals; or

(3) a constant pattern in the changing of the potency of the properties across the category.

If the group concept is applied, substances shall be classified and labelled on this basis.

In all cases results should:

— be adequate for the purpose of classification and labelling and/or risk assessment,

— have adequate and reliable coverage of the key parameters addressed in the corresponding test method referred

to in Article 13(3),

— cover an exposure duration comparable to or longer than the corresponding test method referred to in

Article 13(3) if exposure duration is a relevant parameter, and

— adequate and reliable documentation of the applied method shall be provided.

The substance of interest, i.e.2,2-bis[[(2-ethyl-1-oxohexyl)oxy]methyl]propane-1,3-diyl bis(2-ethylhexanoate)(EC# 230-743-8) shall be proven to have similar physico-chemical properties as structurally related aliphatic pentaerythrithol esters of an existing category of which the members were notified under Directive 67/548/EEC (NONS) in 2003/2004.

 Read across to this structural analogue is considered appropriate, as the substance shares a common data set and structure. Based on the experimental data obtained for all members of the category, it can be concluded that all substances have similar physico-chemical properties, despite the variation of chain length and the presence of branched linear fatty acid esters. With an average molecular weight of 640, the substance of interest, i.e. 2,2-bis[[(2-ethyl-1-oxohexyl)oxy]methyl]propane-1,3-diyl bis(2-ethylhexanoate)(EC# 230-743-8) falls well within the average molecular weight range of the members of the category (637 – 1023).

 Due to the hydrophobic nature of the substances, solubility in aqueous solutions is very low for all substances, leading to similar partitioning in the environment. Additionally to low water solubility and high log Kow, average molecular weights range from 637 to 1023, and absorption in animals with subsequent systemic exposure is expected to be low. Hence toxicological and eco-toxicological properties for 2,2-bis[[(2-ethyl-1-oxohexyl)oxy]methyl]propane-1,3-diyl bis(2-ethylhexanoate)(EC# 230-743-8)can be derived directly by read-across from known esters.

Tabulated data below demonstrates the available study. This demonstrates similar characteristics across the group in terms of physico-chemical and toxicological behaviour. As such, it is deemed appropriate to read across to available data to fulfil various endpoints as required. 



CAS 144971-11-9

CAS 131459-39-7

CAS 452-180-9

CAS 7299-99-2







Melting/freezing / Pour point

OECD 102

< -80.5

< -36


9 deg C

Boiling point

OECD 103

dec >175 deg C

399 deg C

386 deg C

415 deg C

Relative density

OECD 109





Vapour pressure

OECD 104

5.7 E-03



0.000000306 Pa at 20 °C

Water solubility

OECD 105

<0.2 mgl

<0.1 mg/l

<0.2 mmg/l

< 0.4 µg/l.

n-Octanol-water partition coefficient

OECD 117 / 107




Read-across: > 6.7; Calculated at 12.34

Flash point or flammability

EU A9 / A10

215.5 deg c

260 deg c

274 deg c

213 deg c


EU 14




Not explosive


EU A15




waived as FP > 200 Deg C


OECD 114

Not listed

Not listed

Not listed

44 at 40°C
6.2 at 100°C

Mammalian Toxicity

Acute oral toxicity

OECD 423

> 2000

> 2000

> 2000

> 2000 mg/kg bw

Ames test

OECD 471


No data