2,2-bis[[(2-ethyl-1-oxohexyl)oxy]methyl]propane-1,3-diyl bis(2-ethylhexanoate)

Endpoint summary

Additional information

Conclusions for environmental fate and pathways of 2,2-bis[[(2-ethyl-1-oxohexyl)oxy]methyl]propane-1,3-diyl bis(2-ethylhexanoate)(EC# 230-743-8) are based on read across from analogue substances of an existing category (pentaerythritol esters), of which the members were notified under Directive 67/548/EEC (NONS) in 2003/2004. The term 'read-across' for the substances other than the substance of interest means that these endpoints were already read-across in the existing category. Only NONs dossier data are available, which does not present adequate robust study summaries. In addition, full study reports are not available for the majority of substances.

Information on the environmental fate and pathways of the members of the category, including EC# 230-743-8, is summarized in the table below.

Endpoint	Guideline	CAS 144971-11-9	CAS 131459-39-7	CAS 452-180-9	CAS 7299-99-2
Physchem
Melting/freezing / Pour point	OECD 102	< -80.5	< -36	-30	9 deg C
Boiling point	OECD 103	dec >175 deg C	399 deg C	386 deg C	415 deg C
Relative density	OECD 109	0.97	0.96	0.97	0.9634
Vapour pressure	OECD 104	5.7 E-03	1.9	0.38	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	>6.7*	>7.0*	>6.7*	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
Explosivity	EU 14	waived	waived	waived	Not explosive
Auto-flammability	EU A15	405	400	415	waived as FP > 200 Deg C
Viscosity	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	negative	No data	negative	Negative

 

 Since the members of the category have similar physico-chemical properties, their behaviour in the environment is also similar. None of the substances tested was readily biodegradable. Hydrolysis, if possible, would generate the starting materials again. Therefore, the category approach is justified.

The substance appears to fulfil the criteria of “H413 - May cause long lasting harmful effects to aquatic life” as the substance is not readily biodegradable by testing and the log Pow is considered to be above 3. A partition coefficient in excess of 3 is considered to be of concern as potential for bioaccumulation. The likely reliability of the log Pow is, however, considered to diminish above a value of 6. Substances with log Pow between 3 and 6 are considered highly accumulating; however no substantial bioconcentration is assumed for compounds having log Pow with values less than 3 or greater than 6. This correlation has been validated by comparison of published BCF values with the respective calculated log Pow values; the results generally revealing increasing BCF values with increasing log Pow. For compounds having log Pow greater than 6, a gradual decrease of the BCF is observed. It has been hypothesised within the published literature that a high log Pow is more an effect of solubility than a tendency of the substance to be lipophilic.

Suitable references for this are listed in:

Nagel, R. ; Loskill, R.: Bioaccumulation in Aquatic Systems - Contributions to the Assessment.Proceedingsof an International Workshop Weinheim: VCH Verlagsgesellschaft, Fraunhofer IUCT (now IME), 1991 ISBN: 3-527-28395-1 pp.43-66 : Abb.,Tab.

Gary M Rand: Fundamentals of Aquatic Toxicology, Effects, Environmental Fate and Risk Assessment

Second Edition; Taylor & Francis, 1995, ISBN:1-56032-091-5 pp.626-629

Guidance for Meeting the SIDS Requirements: Chemical Right-to-Know Initiative,

http://www.epa.gov/opptintr/chemrtk/sidsappb.htm, Section 2.5

The Revised GESAMP Hazard Evaluation Procedure for Chemical Substances Carried by Ships, IMO/FAO/UNESCO±IOC/WMO/WHO/IAEA/UN/UNEP, Joint Group of Experts on the Scientific Aspects of Marine Environmental Protection (GESAMP),The Revised GESAMP hazard evaluation procedure; Pow ca. >7.0 equates to BCF not measurable

 All members of the category have low water solubility and high Log Kow. Since the few substances tested by experiment were strongly retained on the stationary phase, the log Koc for most substances was determined by QSAR calculation. All members of the category have a Log Koc>= 4.3 (Koc > 19952)meaning that they absorb strongly to organic material. Hence mobility in soil will be low. However, as the substance is not manufactured in Europe and at formulation or use waste is not disposed of via a waste water treatment plant, but incinerated, the environment is not expected to be exposed.

 

Using EPISuite 4.0 the log Kocof 2,2-bis[[(2-ethyl-1-oxohexyl)oxy]methyl]propane-1,3-diyl bis(2- ethylhexanoate) (EC# 230 -743 -8) was calculated as 9.2 (estimate from MCI (Molecular Connectivity Index)) and 7.6 (estimated from log Pow)

 

Log Koc can provide insight as to whether a material will cling to soils or sediments in water and whether they will desorb or be tightly bound. Based on information from NTIS ((Review of Exposure Assessment Guidelines, September 1996), approximate indications of relative soil absorption potential are as follows:

 

Low potential: Koc = 1 to 100, log Koc = 0 - 2

Moderate potential: Koc = 100 to 10,000, log Koc = 2 - 4

High potential: Koc = 10,000 to 10,000,000, log Koc 4 - 7

 

A high potential would indicate that a material would bind tightly to soils and sediments and thus, reduce overall exposure potential.