Reaction mass of undec-8-enal and undec-9-enal and undec-10-enal

Short-term toxicity to fish

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

short-term toxicity to fish

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: The result derived from read across is sufficiently reliable because all Annex XI criteria are met.

Justification for type of information:

The read across justification for fish is presented in the Endpoint summary for Short-term toxicity to fish and the accompanying files are also attached there.

Reason / purpose for cross-reference:

read-across source

Key result

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

1.45 mg/L

Nominal / measured:

meas. (geom. mean)

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Remarks on result:

other: (95% confidence limits of 1.33 and 1.59 mg a.i./L)

Duration:

96 h

Dose descriptor:

NOEC

Effect conc.:

1.32 mg/L

Nominal / measured:

meas. (geom. mean)

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Duration:

24 h

Dose descriptor:

LC50

Effect conc.:

2.22 mg/L

Nominal / measured:

meas. (geom. mean)

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Remarks on result:

other: (95% confidence limits of 1.85 and 2.65 mg a.i./L)

Validity criteria fulfilled:

yes

Remarks:

adequate and reliable documentation on the read across is provided

Conclusions:

The 96h LC50 for Intreleven aldehyde is 1.45 mg/L, based on read across from Decanal, which was tested in OECD TG 203.

Reference 2

Endpoint:

short-term toxicity to fish

Type of information:

experimental study

Adequacy of study:

key study

Study period:

22 Dec 2009 - 16 Dec 2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

The information is used for read across to Intreleven aldehyde.

Reason / purpose for cross-reference:

read-across: supporting information

Qualifier:

according to guideline

Guideline:

OECD Guideline 203 (Fish, Acute Toxicity Test)

Version / remarks:

Version 17 July 1992

Deviations:

no

GLP compliance:

yes

Analytical monitoring:

yes

Details on sampling:

The concentration of Decanal was measured in test solution samples collected at 0, 24, 72 and 96 hours of the definitive test. Samples from freshly-prepared parent solutions were collected at 0 and 72 hours, while samples from the spent test solutions were collected at 24 and 96 hours. Control and Decanal-fortified samples were also prepared for analysis at each sample period. A 9-mL volume of sample was collected at 0, 24, 72 and 96 hours and placed into a culture tube with a sampling pipet. A 3-mL volume of hexane was added to each 9-mL sample and the samples were capped, shaken, and vortexed to mix. The samples were allowed to sit and separate into layers. The hexane layer of each sample was vialed and analyzed by GF-FID. Two QC fortification spikes were prepared and analyzed at concentrations that bracketed the expected high and low treatment concentrations following a similar procedure.The analysis of the test item was conducted by gas chromatography (GC).

Vehicle:

yes

Remarks:

BHA (also known as 2-t-butyl-4-methoxy phenol)

Details on test solutions:

PREPARATION AND APPLICATION OF TEST SOLUTION

- Method:
A primary standard was prepared at initiation and 48 hours at a concentration of 0.15 mg/mL by weighing approximately 0.300 g of Decanal into a 21-L glass jar and bringing the solution to a volume of 21 L with dilution water. Appropriate volumes of the primary standards were added to 21 L volumes of dilution water to prepare the test substance treatments. Glass plates were placed atop the test chambers in a way that eliminated any headspace, thus minimizing the potential for volatilization. In an effort to maintain a maximal exposure to the test substance, the control and each test solution were freshly prepared and renewed after 48 hours.

- Controls:
stabilizer control containing BHA & dilution water without the test item was used as the control

- Chemical name of vehicle (organic solvent, emulsifier or dispersant):
BHA (also known as 2-t-butyl-4-methoxy phenol; Lot. No.: 0000231975)

- Concentration of vehicle in test medium (stock solution and final test solution(s) or suspension(s) including control(s)).
stabilizer control was tested at a concentration approximating the concentration of stabilizer in the highest test substance treatment (i.e., 5.0 mg/L).

- Evidence of undissolved material (e.g. precipitate, surface film, etc.): The control and test solutions were clear and colorless with no visible signs of undissolved test substance, precipitate, or surface film throughout the study.

Test organisms (species):

Oncorhynchus mykiss (previous name: Salmo gairdneri)

Details on test organisms:

TEST ORGANISM:
- Common name: Rainbow trout (Oncorhynchus mykiss)
- Source: Trout Lodge, Sumner, Washington.
- Total length (mean ± standard deviation (n=10)): 46 ± 3.9 mm
- Blotted wet weight (mean ± standard deviation (n=10)): 0.8969 ± 0.2882 g
- Feeding during test: no

ACCLIMATION
The fish were maintained in dilution water, near the test temperature, for a period greater than seven days prior to their use in the definitive test. No diseases were observed nor were the fish treated for disease, and no mortalities occurred during the 48-hour period prior to definitive test initiation. The fish were not offered food 24 hours prior to their use in the definitive test.

Test type:

other: static-renewal

Water media type:

freshwater

Limit test:

no

Total exposure duration:

96 h

Hardness:

150 mg CaCO3/L

Test temperature:

15.5 to 17.0°C

pH:

7.8 to 8.4

Dissolved oxygen:

Fresh solutions (collected between 0 and 72 hours): 8.6 to 12.5 mg/L (91 to 131% saturation)
Spent solutions (collected at 24 and 96 hours): 4.3 to 10.1 mg/L (45 to 106% saturation)

Nominal and measured concentrations:

Nominal concentrations: 0 (control), 0 (stabilizer control), 1.0, 1.5, 2.2, 3.3, and 5.0 mg a.i./L

Geometric Mean Measured Concentrations of Old and New Solutions:

Details on test conditions:

TEST SYSTEM:
- Test vessel: 21-L glass jars
- Type: static-renewal test
- Material, size, headspace, fill volume: test chambers were 21-L glass jars with each containing approximately 21 L of control or test solution and covered with a glass plate with no headspace (i.e., the water in the test chamber was in contact with the lid, leaving no room for volatilization). This was used in place of a flow-through design to minimize the loss of test substance due to the volatility of decanal.
- Aeration: no
- No. of organisms per vessel: seven/test vessel
- No. of organisms per test level: seven fish/test level
- No. of replicates: treatments were not replicated
- Control: stabilizer control containing BHA & dilution water without the test item was used as the control
- Instantaneous biomass loading: 0.2990 g/L/day.

TEST MEDIUM / WATER PARAMETERS:
The dilution water was a moderately hard freshwater prepared by blending naturally hard well water with well water that was demineralized by reverse osmosis (RO). The well water and RO water were blended together to yield a total hardness of 130 to 160 mg/L as CaCO3. Prior to use, the dilution water was passed through a sediment filter. The test chambers were placed in a temperature controlled water bath with a target temperature range of 15 ± 2°C.

Intervals of water quality testing: Temperature, dissolved oxygen concentration and pH were measured in each test chamber on a daily basis.

OTHER TEST CONDITIONS:
- Adjustment of pH: The test was performed without adjusting pH.
- Photoperiod: Fluorescent lighting was maintained on a 16-hour daylight photoperiod with 30-minute simulated dawn and dusk periods. The measured light intensity during the definitive test was 581 lux as measured with a LI-COR Model LI-189 light meter equipped with a photometric sensor.

EFFECT PARAMETERS MEASURED (with observation intervals if applicable) :
- Observations for mortality and sublethal responses were made at approximately 24, 48, 72 and 96 hours.
- Observation of test organisms:
- Mortality and visible abnormality were observed at 3, 24, 48, 72 and 96 hours after the start of the exposure. A fish was considered as dead if the observable motion (motion of mouth and opercula etc.) were not observed and touching of the caudal peduncle with glass rod produced no reaction.
- Total length and body weight of test organism:
Mean total length: 46 ± 3.9 mm (41 to 55 mm)
Mean blotted wet weight: 0.8969 ± 0.2882 g (0.5455 to1.5721 g).

TEST CONCENTRATIONS:
- Spacing factor for test concentrations: factor of 1.5
- Range finding study: yes
- Test concentrations: static-renewal range-finding test was conducted at nominal concentrations of 0 (control), 1.3, 2.5, 5.0, 10, and 20 mg a.i./L. In addition, a static-renewal range-finding test with the stabilizer, BHA, was conducted at nominal concentrations of 0 (control) and 0.008 mg BHA/L.
- Results used to determine the conditions for the definitive study: yes.

Reference substance (positive control):

no

Key result

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

1.45 mg/L

Nominal / measured:

meas. (geom. mean)

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Remarks on result:

other: (95% confidence limits of 1.33 and 1.59 mg a.i./L)

Duration:

96 h

Dose descriptor:

NOEC

Effect conc.:

1.32 mg/L

Nominal / measured:

meas. (geom. mean)

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Duration:

24 h

Dose descriptor:

LC50

Effect conc.:

2.22 mg/L

Nominal / measured:

meas. (geom. mean)

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Remarks on result:

other: (95% confidence limits of 1.85 and 2.65 mg a.i./L)

Details on results:

The lowest concentration causing 100% mortality at 96 hours: 1.76 mg/l ( geometric mean).
The highest concentration causing 0% mortality at 96 hours: 0.844 mg/l.

The mean measured concentration of the test item in the test solution was 80 to 86% of the nominal concentration at the start of the exposure and after the renewal (0 and 24 hours), and 48 to 75% of the nominal concentration during the 96-hour study based on the geometric mean measured concentrations. The measured concentrations of the test item is greater than ± 20% of the nominal concentration. No mortality in the fish controls were found at the end of the test and dissolved oxygen concentrations were 91 to 131% saturation in fresh solutions.

Reported statistics and error estimates:

All statistical analyses were performed with SAS software (version 9.1). Estimates of LC50 values and their 95% confidence limits were calculated using the probit method and Trimmed Spearman-Karber method. When the P value for Goodness of Fit was >0.05 and there was no other evidence of questionable convergence, the probit method was selected for reporting. When this criterion was not achieved, the Trimmed Spearman-Karber method was selected for reporting. The no-observed-effect concentration (NOEC) was determined by using Fisher’s onetailed exact test.

Sublethal observations / clinical signs:

Mortality of Rainbow Trout, Oncorhynchus mykiss, Exposed to Decanal for 96 -Hours Under Flow-Through Test Conditions

Concentration (mg/L)		Cumulative mortality (%)
Nominal	Measured -Geometric mean of old and new solutions (Mean concentration of fresh solutions)	24 hours	48 hours	72 hours	96 hours
0(control)	0	0	0	0	0
0 stabilizer control	0	0	0	0	0
1	0.478	0	0	0	0
1.5	0.844	0	0	0	0
2.2	1.32	0	14	14	14
3.3	1.76	29	100	100	100*
5	3.77	100	100	100	100*

* Statistically significant reduction in survival as compared to the control (Fisher’s One Tailed Exact Test,p< 0.05).

Validity criteria fulfilled:

yes

Remarks:

No mortality in the fish controls were found at the end of the test and dissolved oxygen concentrations were 91 to 131% saturation in fresh solutions.

Conclusions:

The 96-h LC50 for Decanal is 1.45 mg/L in Rainbow Trout (Oncorhynchus mykiss).

Executive summary:

Decanal was examined in a fish acute toxicity study in accordance with OECD TG 203 and GLP. In this study 7 Rainbow Trout (Oncorhynchus mykiss), were exposed to nominal concentrations of 0 (control), 1.0, 1.5, 2.2, 3.3 and 5 mg/L under static-renewal conditions for 96 hours. The concentrations were analytically verified and geometric mean measured concentrations were 48 -75% of nominal throughout the test. A 96 hour NOEC was determined as 1.32 mg/l and the 96-h LC50 was determined as 1.45 mg/L, the results being expressed as measured concentrations. All validity criteria were met in this test.

Description of key information

The 96h LC50 for Intreleven aldehyde is 1.45 mg/L, based on read across from Decanal, which was tested in OECD TG 203.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Effect concentration:

1.45 mg/L

Additional information

The acute fish toxicity information for Intreleven aldehyde is derived from Decanal, a close analogue. First the acute fish toxicity study of Decanal will be summarized below. Thereafter, the read-across justification is presented. The accompanying files are attached also here in the Endpoint summary.

The OECD 203 acute fish toxicity study with Decanal used for read-across to Intreleven aldehyde:

Decanal was examined in a fish acute toxicity study in accordance with OECD TG 203 and GLP. In this study 7 Rainbow Trout (Oncorhynchus mykiss), were exposed to nominal concentrations of 0 (control), 1.0, 1.5, 2.2, 3.3 and 5 mg/L under static-renewal conditions for 96 hours. The concentrations were analytically verified and geometric mean measured concentrations were 48 -75% of nominal throughout the test. A 96 hour NOEC was determined as 1.32 mg/l and the 96-h LC50 was determined as 1.45 mg/L, the results being expressed as measured concentrations. All validity criteria were met in this test.

Intreleven aldehyde (CAS 58296-81-4; Target) and its aquatic toxicity for fish using read across information from Decanal (CAS 112-31-2; Source)

 

Introduction and hypothesis for the read across

Intreleven aldehyde is a multi-constituent which consists of the following main constituents: Undec-10-enal, (9E) Undec-9-enal, (9Z) Undec-9-enal and (8E) Undec-8-enal. These constituents are aldehydes with a linear carbon backbone and contain one C=C double bond at various positions ranging from C 8 to 10. For this substance no aquatic toxicity data for fish are available. Therefore additional information is used in accordance with Article 13 of REACH where it is said that lacking information can be generated whenever possible by means other than vertebrate animal tests, i.e. applying alternative methods such as in vitro tests, SARs, grouping and read-across. For assessing the aquatic toxicity of Intreleven aldehyde to fish the analogue approach is selected because for one closely related analogue, Decanal, an acute toxicity fish study is available which can be used for read across.

Hypothesis: Intreleven aldehyde is expected to have similar fish toxicity as its analogue, Decanal.

Available experimental information: For the structurally related source chemical, Decanal, a fish guideline toxicity study (OECD TG203, GLP) is available. The study is considered reliable (K1) and can be used for assessment purposes. The 96h LC50 for fish was 1.45 mg/L.

Target and Source chemical(s):

Chemical structures of the target chemical (Intreleven aldehyde) and the source chemical (Decanal) are shown in the data matrix below, including physico-chemical properties and toxicological information, considered relevant for the aquatic toxicity.

Purity / Impurities:

The known constituents and purity of the target chemical do not indicate properties with regard to fish toxicity other than indicated by the source substance.

Analogue justification

According to REACH Annex XI, an analogue approach can be used to replace testing when information from different sources provides sufficient evidence. The result derived should be applicable for C&L and/or risk assessment and be presented with adequate and reliable documentation.

Analogue selection: Decanal was selected as an analogue because of a close structural and physico-chemical similarity and because for this substance adequate data on fish toxicity are available.

Structural similarities and differences: The target chemical, Intreleven aldehyde and the source chemical, Decanal have a comparable linear carbon backbone and a similar functional aldehyde group. The only structural difference is that Intreleven aldehyde (target) has one carbon more when compared to Decanal (C11 versus C10, respectively). Furthermore, Intreleven aldehyde has one C=C double bond while Decanal is unsaturated without C=C double bond in its carbon backbone.

Bioavailability: The target and the source chemical will have similar bioavailability. The molecular weights of the target and source are very similar (168.28and 156.27, respectively). The water solubility of Intreleven aldehyde is slightly lower (26 vs 29 mg/l) and the measured log Kow somewhat higher compared to Decanal (4.5 vs. 3.76), which can be expected due to the additional carbon present in Intreleven aldehyde.

Mode of Action and the prediction of the aquatic toxicity information: The target and source substances are expected to have the same mode of action, because they are both aldehydes.

Remaining uncertainties: There are no remaining uncertainties considering bioavailability and mode of action. In view of the target substance Intreleven aldehyde having a higher molecular weight and higher log Kow (difference measured logKow > 0.5), the ecotoxicity values might be recalculated. Conversion calculation was done for Intreleven, which resulted in LC50 value of 1.32 mg/l: [(1.45 mg/l / 150 MW) x (3.8 / 4.47)] x 168 MW = 1.32 mg/l. Though Intreleven aldehyde has a slightly lower value than the source substance, the difference is insignificant and therefore this conversion was not used. 

Data matrix

The relevant information on physico-chemical properties and toxicological characteristics are presented in the data matrix below.

Final conclusions for aquatic toxicity to fish

For assessing the aquatic toxicity for fish a read across is done for Intreleven aldehyde (target) from Decanal (source). When using read across the result derived should be applicable for C&L and/or risk assessment and be presented with adequate and reliable documentation, which is shown in the present document.

For Decanal the LC50 for fish is 1.45 mg/L.

Recalculation for Intreleven aldehyde is not considered necessary because the ecotoxicity values would remain almost the same.

Final conclusion on hazard: For Intreleven aldehyde the 96h LC50 for fish is 1.45 mg/L.

Data matrix for the read across from Decanal to Intreleven aldehyde

CHEMICAL NAME	Intreleven aldehyde (Undec-8-enal)	Decanal
Molecular structure
CAS	58296-81-4	112-31-2
REACH registration	To be registered (Annex VIII)	Registered (2013)
Einecs/EC number	261-202-4	203-957-4
Molecular formula	C11H20O	C10H20O
Molecular weight	168.28	156.27
Physico-chemical properties
Appearance	Liquid	Colorless to light yellow liquid
Melting point (°C)	<-20 (IFF, 2016)	-3.6 (ECHA dissemination)
Boiling point (°C)	239.1 (IFF, 2016)	216 (ECHA dissemination)
Vapour pressure (Pa)	6.04 (IFF, 2016)	8.2 (ECHA dissemination)
Water solubility (mg/L)	26.1 (measured at 24°C) (IFF, 2016)	29.4 (ECHA dissemination) (at 20°C)
LogKow	4.47 (IFF, 2017)	3.8 (ECHA dissemination)
Ecotoxicological information
Acute toxicity
Fish 96h LC50 (mg/L)	1.45 (read across from Decanal)	1.45