Lavender, Lavandula angustifolia, ext.

Toxicity to aquatic algae and cyanobacteria

Link to relevant study record(s)

Reference

Endpoint:

toxicity to aquatic algae and cyanobacteria

Type of information:

calculation (if not (Q)SAR)

Remarks:

Estimated by calculation

Adequacy of study:

key study

Study period:

2017-03-16 to 2017-03-17

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Remarks:

Calculation method is used; calculation method applicable for that endpoint.

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 201 (Alga, Growth Inhibition Test)

Deviations:

yes

Remarks:

calculation method

Principles of method if other than guideline:

The acute toxicity to aquatic algae was determined using a validated QSAR for the Mode of Action in question. The first step of the iSafeRat mixture toxicity calculation employs phase equilibrium thermodynamics in order to determine the concentrations of each constituent within the WAF. This fraction equates to the analysable fraction of a WAF study.
Within the WAF, the constituents also partition between themselves further reducing the bioavailable fraction and thus the toxicity of the mixture compared to the individual constituents. In the calculation the second step is to remove this non-bioavailable fraction.
The final step is to determine the truly bioavailable fraction of the WAF per constituent. The ErC50s of each constituent are already known from literature or calculated using the iSafeRat QSAR model. Each value and calculation has been included as a supporting study in the IUCLID. An additivity approach (based on Chemical Activity of each constituent) is used in order to calculate the Effective Loading rate of the WAF.
The method has been validated using data derived from 72-hour ErC50 tests on aquatic algae, for which the concentrations of the test item had been determined by chemical analyses over the test period. Further to this the effective loading rate of the WAF is determined by using a series of calculation steps using phase equilibrium thermodynamics and excluding the non-bioavailable fraction.

GLP compliance:

not specified

Specific details on test material used for the study:

Not applicable

Analytical monitoring:

not required

Details on sampling:

not applicable

Vehicle:

no

Details on test solutions:

not applicable

Test organisms (species):

Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)

Details on test organisms:

not applicable

Test type:

other: calculation method

Water media type:

freshwater

Limit test:

no

Total exposure duration:

72 h

Remarks on exposure duration:

72h-ErL50 (effective loading rate of WAF)

Post exposure observation period:

not applicable

Hardness:

Hardness is not a necessary component of the WAF calculation

Test temperature:

The Temperature is not a necessary component of the WAF calculation

pH:

The pH is not a necessary component of the WAF calculation

Dissolved oxygen:

The oxygen concentration is not a necessary component of the WAF calculation

Salinity:

Salinity is not a necessary component of the WAF calculation.

Nominal and measured concentrations:

The calculation determines measured concentrations

Details on test conditions:

calculation method

Reference substance (positive control):

not required

Duration:

72 h

Dose descriptor:

EL50

Effect conc.:

16 mg/L

Conc. based on:

test mat.

Basis for effect:

growth rate

Remarks on result:

other: Based on the typical composition of the quality "fine"

Key result

Duration:

72 h

Dose descriptor:

EL50

Effect conc.:

13 mg/L

Conc. based on:

test mat.

Basis for effect:

growth rate

Remarks on result:

other: Based on the typical composition of the quality "matherone"

Duration:

72 h

Dose descriptor:

EL50

Effect conc.:

24 mg/L

Conc. based on:

test mat.

Basis for effect:

growth rate

Remarks on result:

other: Based on the typical composition of the quality "maillette"

Duration:

72 h

Dose descriptor:

EL50

Effect conc.:

17 mg/L

Conc. based on:

test mat.

Basis for effect:

growth rate

Remarks on result:

other: Based on the typical composition of the quality "bulgarian"

Duration:

72 h

Dose descriptor:

EL50

Effect conc.:

17 mg/L

Conc. based on:

test mat.

Basis for effect:

growth rate

Remarks on result:

other: Based on the typical composition of the quality "russian"

Duration:

72 h

Dose descriptor:

EL50

Effect conc.:

18 mg/L

Conc. based on:

test mat.

Basis for effect:

growth rate

Remarks on result:

other: Based on the typical composition of the quality "chinese"

Duration:

72 h

Dose descriptor:

EL50

Effect conc.:

16 mg/L

Conc. based on:

test mat.

Basis for effect:

growth rate

Remarks on result:

other: Based on a representative typical composition of the "other qualities".

Details on results:

not applicable

Results with reference substance (positive control):

not applicable

Reported statistics and error estimates:

not applicable

At this loading rate, the expected concentrations of each constituent in the mixture (based on thermodynamic calculation) are as follows:

	concentration in the WAF (mg.L^-1)
constituents	FINE	MATHERONE	MAILLETTE	BULGARIAN
linalyl acetate	5.8	5.4	9.0	5.2
linalool	4.3	2.0	10	5.3
β-ocimene	0.49	0.89	0.12	0.38
β-caryophyllene	0.0064	-	0.0046	0.0052
lavandulyl acetate	0.54	0.84	0.099	0.51
terpinene-1-ol 4	0.70	0.14	0.051	0.55
cineol 1,8	0.096	0.24	0.014	0.32
lavandulol	0.15	-	0.055	0.14
borneol laevo	0.099	0.084	-	0.32
α-terpineol	0.075	0.064	0.13	0.24
bornyl acetate	-	-	0.37	-
geranyl acetate	0.047	0.044	0.084	0.086
β-farnesene	0.00087	0.00092	0.00094	0.00081
limonene	0.028	0.046	0.014	0.057
geraniol	-	-	-	0.089
camphor	-	0.032	0.14	0.092
myrcene	0.026	0.030	0.022	0.051
neryl acetate	-	-	-	-
octan-3-one	0.099	-	0.25	0.24
β-phellandrene	0.022	0.080	0.019	0.12
hexyl butyrate	0.053	-	0.12	-
oct-1-en-3-yl acetate	-	-	-	-
caryophyllene oxide	-	-	-	-
	concentration in the WAF (mg.L^-1)
constituents	RUSSIAN	CHINESE	OTHER QUALITIES
linalyl acetate	5.3	7.0	7.7
linalool	5.5	5.7	3.6
β-ocimene	0.41	0.37	0.43
β-caryophyllene	0.0051	0.0045	0.0096
lavandulyl acetate	0.27	0.53	0.092
terpinene-1-ol 4	0.36	0.41	0.18
cineol 1,8	0.43	0.29	-
lavandulol	0.10	0.21	-
borneol laevo	0.16	0.18	0.13
α-terpineol	0.18	0.18	-
bornyl acetate	-	0.18	-
geranyl acetate	0.090	0.15	-
β-farnesene	-	0.00037	0.00103
limonene	0.10	0.068	-
geraniol	-	0.11	-
camphor	-	0.10	-
myrcene	0.039	0.031	-
neryl acetate	-	0.091	-
octan-3-one	-	-	-
β-phellandrene	0.22	-	-
hexyl butyrate	-	-	-
oct-1-en-3-yl acetate	-	-	0.20
caryophyllene oxide	-	-	0.092

Validity criteria fulfilled:

yes

Conclusions:

- 72h-ErL50 for typical composition of Lavender Oil (fine) = 16 mg test item/L.
- 72h-ErL50 for typical composition of Lavender Oil (matherone) = 13 mg test item/L.
- 72h-ErL50 for typical composition of Lavender Oil (maillette) = 24 mg test item/L.
- 72h-ErL50 for typical composition of Lavender Oil (bulgarian) = 17 mg test item/L.
- 72h-ErL50 for typical composition of Lavender Oil (russian) = 17 mg test item/L.
- 72h-ErL50 for typical composition of Lavender Oil (chinese) = 18 mg test item/L.
- 72h-ErL50 for typical composition of Lavender Oil (other qualities) = 16 mg test item/L.

Executive summary:

Lavender oil is a Natural Complex Substance (UVCB) with different qualities that have well-defined compositions. The acute toxicity to aquatic algae has been investigated using an in-house calculation method that replaces an OECD 201 study and guideline for Testing of Chemicals No. 23 (i.e. WAF conditions).

The typical compositions of the different qualities of Lavender oil have been investigated. For the quality "other", a representative composition was used.

The first step of the iSafeRat mixture toxicity calculation employs phase equilibrium thermodynamics in order to determine the concentrations of each constituent within the WAF. This fraction equates to the analyzable fraction of a WAF study.

Within the WAF, the constituents also partition between themselves further reducing the bioavailable fraction and thus the toxicity of the mixture compared to the individual constituents. In the calculation the second step is to remove this non-bioavailable fraction.

The final step is to determine the truly bioavailable fraction of the WAF per constituent. The ErC50s of each constituent are already known from literature or predicted using the iSafeRat QSAR model. Each value has been included as a supporting study in the IUCLID. An additivity approach (based on Chemical Activity of each constituent) is used in order to calculate the Effective Loading rate of the WAF.

Using this approach, the 72-h ErL50 predicted on the different qualities of the registered substance were 16, 13, 24, 17, 17, 18 and 16 mg test material/L for the typical compositions of lavender oil fine (or population), matherone, maillette, bulgarian, russian, chinese and other qualities respectively. For that endpoint, the most conservative value for the substance lavender oil is selected and corresponds to a 72h-ErL50 of 13 mg/L.

Results Synopsis

Test Type: Calculation method based on typical compositions

48h-EL50: 13 mg test material/L (most conservative value amongst the different qualities of lavender oil)

Description of key information

The 72-h ErL50 predicted for the different qualities of the registered substance were 16, 13, 24, 17, 17, 18 and 16 mg test material/L for the typical compositions of lavender oil fine (population), matherone, maillette, bulgarian, russian, chinese, clonale and other qualities respectively. For that endpoint, the most conservative value for the substance lavender oil is selected and corresponds to a 72h-ErL50 of 13 mg/L.

Based on the results of this study, Lavender oil would not be classified as acute 1 to aquatic organisms in accordance with the classification of the CLP.

Key value for chemical safety assessment

EC50 for freshwater algae:

13 mg/L

Additional information

Lavender oil is a Natural Complex Substance (UVCB) composed by different qualities with well-defined compositions. Therefore, the ecotoxicity of the substance can be derived from knowledge of the constituents. 

For that endpoint, one reliable study was available: an in-house calculation method that replaces an OECD 201 study and guideline for Testing of Chemicals No. 23 (i.e. WAF conditions). In this study, the mixture ecotoxicity properties is derived from the ecotoxicity of the individual constituents. The algorithm used is based on a QSAR model which has been validated to be compliant with the OECD recommendations for QSAR modeling (OECD, 2004).

The typical compositions of the different qualities of the registered substance have been investigated.

The first step of the iSafeRat mixture toxicity calculation employs phase equilibrium thermodynamics in order to determine the concentrations of each constituent within the WAF. This fraction equates to the analyzable fraction of a WAF study. Within the WAF, the constituents also partition between themselves further reducing the bioavailable fraction and thus the toxicity of the mixture compared to the individual constituents. In the calculation the second step is to remove this non-bioavailable fraction.

The final step is to determine the truly bioavailable fraction of the WAF per constituent. The ErC50s of each constituent were predicted using the iSafeRat QSAR model. Each value was reported in the table below and has been included as a supporting study in the IUCLID (with QPRF/QMRF attached).

constituents	72h-ErC50 (mg.L^-1) used
linalyl acetate	3.0
linalool	59
β-ocimene	1.0
β-caryophyllene	> solubility limit
lavandulyl acetate	2.3
terpinene-1-ol 4	62
cineol 1,8	98
lavandulol	19
borneol laevo	23
α-terpineol	62
bornyl acetate	1.5
geranyl acetate	2.2
β-farnesene	> solubility limit
limonene	0.50
geraniol	24
camphor	24
myrcene	1.1
neryl acetate	2.2
octan-3-one	30
β-phellandrene	0.92
hexyl butyrate	1.7
oct-1-en-3-yl acetate	6.5
caryophyllene oxide	1.9

Then, an additivity approach (based on Chemical Activity of each constituent) is used in order to calculate the Effective Loading rate of the WAF.

Based on the results of this study, Lavender oil would not be classified as acute 1 to aquatic organisms in accordance with the classification of the CLP.

This toxicity study is considered acceptable and can be used for that endpoint.