1,1,1,3,5,5,5-heptamethyl-3-octyltrisiloxane

Biodegradation in soil

Description of key information

Degradation in soil: The following results are read-across from the structurally-related substance L4. Degradation in soil: Michigan Londo soil, half-lives (closed tubes) 3.7 d at 32% RH and 22°C to 106.6 d at 100% RH and 22°C (estimated to be 56 days when corrected for amount of L4 predicted to be in headspace at this RH). The main degradation products were dimethylsilanediol and trimethylsilanol. In open systems, the volatilisation of L4 was the predominant process for removal of L4 from soil at 100% RH, with a volatilisation half-life of 4 days, almost 10 times faster than the degradation of L4 at the same moisture level in the closed system. 

 

In exposure modelling (EUSES 2.1.2) a half-life value of 10 days at 20°C will be used, based on the value of 10 d (#1) (92% RH 22°C Closed). This is an estimate. The exact value is not significant in respect of the overall risk characterisation for soil.

Key value for chemical safety assessment

Half-life in soil:

10 d

at the temperature of:

20 °C

Additional information

There are no reliable biodegradation in soil data available for 1,1,1,3,5,5,5-heptamethyl-3-octyltrisiloxane (CAS 17955-88-3), therefore good quality data for the structurally-related substance, decamethyltetrasiloxane, L4, (CAS 141-62-8), have been read across in a Category approach.

1,1,1,3,5,5,5 -Heptamethyl-3-octyltrisiloxane and L4 are members of the Reconsile Siloxanes Category. This Category consists of linear/branched and cyclic siloxanes which have a low functionality and a hydrolysis half-life at pH 7 and 25°C >1 hour and log K_ow>4. There is a limited amount of soil stability data available with siloxanes. Substances that are highly absorbing are expected to have slow degradation rates in soil. The category hypothesis is that stability in soil is linked to the organic carbon-water coefficient and hydrolysis rates, which are dependent in turn on the structural features and constituent functional groups within the molecule. In the context of the Read-Across Assessment Framework (RAAF), Scenario 4 is applicable to this endpoint.

Additional information on the structure of the category and the supporting evidence for the application of the Scenario is given in a supporting report (PFA, 2017at) attached in Section 13 of the IUCLID dossier.

1,1,1,3,5,5,5 -Heptamethyl-3-octyltrisiloxane and the source substance L4 are linear siloxanes with 3 and 4 silicon atoms respectively. L4 is a linear chain with four silicon atoms linked by three oxygen atoms and each silicon atom is fully methylated, whereas 1,1,1,3,5,5,5-heptamethyl-3-octyltrisiloxane is a linear chain with three silicon atoms linked by two oxygen atoms. Each silicon atom is substituted by methyl groups, except for the central silicon atom which is substituted by an octyl carbon chain in place of a methyl group.

A comparison of the key physicochemical properties is presented in the table below. Both substances have negligible biodegradability and similar moderate hydrolysis rates.

Table4.1.5Key physicochemical properties of 1,1,1,3,5,5,5-heptamethyl-3-octyltrisiloxane and surrogate substance L4

	1,1,1,3,5,5,5-heptamethyl-3-octyltrisiloxane	L4
Chemical name	1,1,1,3,5,5,5-heptamethyl-3-octyltrisiloxane	decamethyltetrasiloxane
CAS	17955-88-3	141-62-8
Molecular weight (parent)	334.73	310.69
Log Kow (parent)	9.0 (QSAR)	8.21 at 25.1°C
Water solubility (parent)	2.8E-05 mg/l at 20°C (QSAR)	0.00674 mg/L at 23°C
Vapour pressure (parent)	0.64 Pa at 25°C (QSAR)	73 Pa at 25°C
Log Koc (parent)	6.0 (QSAR)	5.16 at 23.7°C
Ready biodegradability	Not readily biodegradable	Not readily biodegradable
Hydrolysis t1/2at pH 7 and 25°C	13.7 d at pH 7 and 20-25⁰C(QSAR)	728 h
Hydrolysis products	Octylmethylsilanediol (1 mole) and Trimethylsilanol (2 moles)	Trimethylsilanol (2 moles per mole of parent) and dimethylsilanediol (2 moles)

 

Given the similar properties and structural similarities, it is considered valid to read-across soil degradation data from L4 to 1,1,1,3,5,5,5-heptamethyl-3-octyltrisiloxane.

Table 4.1.6 presents all of the available data for removal of substances from soil within the Siloxane Category. In these studies,¹⁴C-labelled siloxane was added to soil that was pre-conditioned at the desired relative humidity (RH), and incubated at different moisture levels and temperatures. Closed and open systems were used. The results show that in general the rate of degradation is greater at lower RH in closed systems, and in open systems volatilisation is the predominant process for removal from soil at higher RH. Removal half-lives are generally <10 days in closed systems at RH <100. It is therefore considered valid to read-across the results for L4 to fill the data gap for the registered substance.

Table 4.1.6 Degradation in soil data for substances within the Siloxane Category

CAS	Name	Soil type	Results	Reliability
556-67-2	Octamethylcyclotetrasiloxane (D4)	Wahiawa soil (#1)   Londo soil (#2)	Half-life (DT50): 0.04 d (#1) (32% relative humidity) 0.08 d (#1) (92% relative humidity) 0.89 d (#1) (100% relative humidity) 3.54 d (#2) (relative humidity 32%) 5.25 d (#2) (relative humidity 92%)   Transformation products: Siloxane diols Dimethylsilanediol	2
541-02-6	Decamethylcyclopentasiloxane (D5)	Wahiawa soil	Half-life (DT50): 0.08 d (32% relative humidity)   Transformation products: Siloxane diols Dimethylsilanediol	2
540-97-6	Dodecamethylcyclohexasiloxane (D6)	Wahiawa soil	Half-life (DT50): 1.38 d (32% relative humidity)   Transformation products: Siloxane diols Dimethylsilanediol	2
107-46-0	Hexamethyldisiloxane (L2)	Londo	Half-life (DT50): 407.6 d (#1) (100% RH 22.0°C Closed NOTE: 9.8 days when corrected for head-space effect) 5.8 d (#1) (92% RH 22.0°C Closed) 6.4 d (#1) (42% RH 22.0°C Closed) 1.8 d (#1) (32% RH 22.0°C Closed) 30.1 d (#1) (4°C 42% RH Closed) 4.5 d (#1) (37°C 42% RH Closed) 323.9 d (#1) (100% RH 25.0°C Closed (From activation energy calculated for 42% RH) NOTE: 7.9 days when corrected for head-space effect) 4.7 d (#1) (92% RH 25.0°C Closed (From activation energy calculated for 42% RH)) 5.2 d (#1) (42% RH 25.0°C Closed (From activation energy calculated for 42% RH)) 1.4 d (#1) (32% RH 25.0°C Closed (From activation energy calculated for 42% RH))   Transformation products: Trimethylsilanol	2
107-51-7	Octamethyltrisiloxane (L3)	Londo (#1)   Loamy silt (#2)	Half-life (DT50): 119.5 d (#1) (100% RH* 22.5°C Closed NOTE: 24 days when corrected for head-space effect) 6.19 d (#1) (92% RH 22.5°C Closed) 3.62 d (#1) (42% RH 22.5°C Closed) 1.48 d (#1) (32% RH 22.5°C Closed) 0.26 d (#2) (32% RH 22.5°C Closed) 19.9 d (#1) (4°C 42% RH Closed) 0.96 d (#1) (38.5°C 42% RH Closed) 96.3 d (#1) (100% RH 25.0°C Closed (From activation energy calculated for 42% RH) NOTE: 19.3 days when corrected for head-space effect) 4.98 d (#1) (92% RH 25.0°C Closed (From activation energy calculated for 42% RH)) 12.8 h (#1) (42% RH 25.0°C Closed (From activation energy calculated for 42% RH))   Transformation products: Dimethylsilanediol Trimethylsilanol 3, 3, 3, 1, 1-Pentamethyldisiloxanol	2
141-62-8	Decamethyltetrasiloxane (L4)	Londo (#1)	106.6 d (#1) (100% RH 22°C Closed. NOTE: 56 days when corrected for head-space effect) 10 d (#1) (92% RH 22°C Closed) 4.5 d (#1) (42% RH 22°C Closed) 3.7 d (#1) (32% RH 22°C Closed) 29 d (#1) (4°C 42% RH Closed) 1.2 d (#1) (37°C 42% RH Closed) 80.6 d (#1) (100% RH 25.0°C Closed (From activation energy calculated for 42% RH) NOTE: 42 days when corrected for head-space effect) 7.6 d (#1) (92% RH 25.0°C Closed (From activation energy calculated for 42% RH).) 3.4 h (#1) (42% RH 25.0°C Closed (From activation energy calculated for 42% RH).) 2.8 d (#1) (32% RH 25.0°C Closed (From activation energy calculated for 42% RH).) % Degradation of test substance: Transformation products: Dimethylsilanediol Trimethylsilanol	2

The soil degradation/volatilisation study for L4 was conducted with a Londo soil from Bay City, Michigan, USA.¹⁴C-labelled L4 was added to soil that was pre-conditioned at the desired relative humidity (RH), and incubated at different moisture levels and temperatures. Closed and open systems were used.

The rate of removal was greater as the soil became drier. Degradation half-lives (closed tubes) ranged from 3.7 d at 32% RH and at 22°C to 106.6 d at 100% RH and at 22°C (estimated to be 56 days when corrected for amount of L4 predicted to be in the headspace at this RH).

The correction for amount of L4 predicted to be in the headspace is made to degradation rates at 100% RH. It is thought by the authors of the study that the rates at this RH may be underestimated due to complication of soil/air partitioning in the test tubes during incubation (L4 present in headspace not available for biotic or abiotic degradation). For each sample in a closed tube at 100% RH, the estimated fraction, via soil-air partitioning calculation, of L4 actually distributed in soil is around 52.4%. The rest will be in the headspace. Assuming that attainment of soil/air partition equilibrium for L4 was rapid compared to its degradation, and that the system was always in equilibrium during the course of the degradation, the actual degradation rate for L4 in soil without headspace should be ~1.9 times larger than observed.

The main degradation products were dimethylsilanediol and trimethylsilanol.

In open systems, volatilisation was the predominant process for removal of L4 from soil at 100% RH, with a volatilisation half-life of 4 days, almost 10 times faster than the degradation of L4 at the same moisture level in the closed system.