Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 226-603-0 | CAS number: 5435-64-3
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Toxicity to aquatic algae and cyanobacteria
Administrative data
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2009-01-06 to 2009-01-12
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Remarks:
- Study conducted according to GLP and in compliance with agreed protocols, with minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not effect the quality of the relevant results.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 201 (Alga, Growth Inhibition Test)
- Version / remarks:
- (2006)
- Deviations:
- no
- Principles of method if other than guideline:
- The dilution level of the test substance were analysed by DOC analysis.
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- 3,5,5-trimethylhexanal
- EC Number:
- 226-603-0
- EC Name:
- 3,5,5-trimethylhexanal
- Cas Number:
- 5435-64-3
- Molecular formula:
- C9H18O
- IUPAC Name:
- 3,5,5-trimethylhexanal
Constituent 1
Sampling and analysis
- Analytical monitoring:
- yes
- Details on sampling:
- - Concentrations: Saturated solution prepared with 100 mg/L, the saturated solution and five further dilution levels were tested, nominal: 0.32 - 1.00 - 3.20 - 10.0 - 32.0 % of the saturated solution
- Sampling method: Separate replicates without algae, incubated as the test replicates
- Sample storage conditions before analysis: immediate analysis out of additional replicates
Test solutions
- Vehicle:
- no
- Details on test solutions:
- PREPARATION AND APPLICATION OF TEST SOLUTION (especially for difficult test substances)
- Method: Preparation of a saturated solution acc. to OECD Series, No. 23 (2000). 100 mg/L of the test item were directly weighed out, freshly prepared with dilution water and shaken with 20 rpm for 24 h at room temperature in a brown glass flask. After a separation phase of 2 h the saturated solution was taken from the homogeneous liquid phase.
- Differential loading: nominal: 0.32 - 1.00 - 3.20 - 10.0 - 32.0 - 100 % of the saturated solution
- Controls: Six replicates (without test item) were tested under the same test conditions as the test replicates
- Evidence of undissolved material (e.g. precipitate, surface film, etc): No undissolved material visible.
Test organisms
- Test organisms (species):
- Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)
- Details on test organisms:
- TEST ORGANISM
- Common name: Desmodesmus subspicatus Chodat
- Strain: SAG 86.81
- Source (laboratory, culture collection): SAG Pflanzenphysiologisches Institut der Universitaet Goettingen, Nikolausberger Weg 18, D-37073 Goettingen, Germany
- Age of inoculum (at test initiation): 3 days
- Method of cultivation: Fresh stocks were prepared from Z-Agar. Light intensity amounted 35 - 70 µE x m-2 x s-1 for 24 h per day.
ACCLIMATION
- Culturing media and conditions (same as test or not): Same as test
- Any deformed or abnormal cells observed: No
Study design
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 72 h
- Post exposure observation period:
- After 72 h of exposure, 0.5 mL aliquots of the test medium (i.e. samples of exposed algal cells) from the geometric mean measured concentration of 47.6 mg/L and the control were transferred to 10 mL untreated test medium. Algae were then allowed to grow for further 3 days under test conditions.
Test conditions
- Hardness:
- Test medium (nominal): 0.24 mmol CaMg/L
- Test temperature:
- Min: 21 °C, Max: 23 °C, Mean: 22 °C
- pH:
- Geometric mean measured test item concentrations
[mg/L] pH-value
Start; 0 h End; 72 h
47.6 7.61 7.69
15.1 7.62 7.95
4.68 7.74 8.19
1.19 7.70 8.30
0.98 7.71 8.15
0.32* 7.83 8.09
Control 8.29 8.35 - Dissolved oxygen:
- not measured
- Salinity:
- freshwater conditions
- Nominal and measured concentrations:
- nominal: 0.32 - 1.00 - 3.20 - 10.0 - 32.0 - 100.0 % of the saturated solution
gemoetric mean measured: 0.32* - 0.98 - 1.19 - 4.68 - 15.1 - 47.6 mg/L
*: nominal dilution level of the saturated solution, not regarded in statistical analysis - Details on test conditions:
- TEST SYSTEM
- Test vessel: 250 mL Erlenmeyer flasks
- Type (delete if not applicable): open
- Material, size, headspace, fill volume: sterile 250 mL Erlenmeyer flasks, test volume 100 mL
- Aeration: Test containers were placed on a rotary shaker and oscillated at appr. 70 rpm
- Type of flow-through (e.g. peristaltic or proportional diluter): None
- Renewal rate of test solution (frequency/flow rate): One application at test start
- Initial cells density: 4878 cells/mL
- Control end cells density: Mean 553814 cells/mL
- No. of vessels per concentration (replicates): 3
- No. of vessels per control (replicates): 6
- No. of vessels per vehicle control (replicates): None
GROWTH MEDIUM
- Standard medium used: yes
TEST MEDIUM / WATER PARAMETERS
- Source/preparation of dilution water: Dilution water, composition acc. to the guideline
- Hardness: 0.24 mmol Ca+Mg/L
- pH-value: 8.1 +/- 0.2
- Culture medium: Nutrient Medium Z acc. to LÜTTGE et al. (1994)
OTHER TEST CONDITIONS
- Sterile test conditions: no
- Adjustment of pH: no
- Photoperiod: 24 h
- Light intensity and quality: 60 - 120 µE x m-2 x s-1
EFFECT PARAMETERS MEASURED (with observation intervals if applicable) :
- Determination of cell concentrations: [counting chamber; electronic particle counter; fluorimeter; spectrophotometer; colorimeter] Fluorimeter, via Chlorophyll-a fluorescence (excitation at 436 nm, emission at 685 nm), cell concentrations were related to all cell density values acc. to a calibration curve.
TEST CONCENTRATIONS
- Spacing factor for test concentrations: √10
- Range finding study
- Test concentrations: 1 - 100
- Results used to determine the conditions for the definitive study: Yes - Reference substance (positive control):
- yes
- Remarks:
- Potassium dichromate
Results and discussion
Effect concentrationsopen allclose all
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 33 mg/L
- Nominal / measured:
- meas. (geom. mean)
- Conc. based on:
- test mat.
- Basis for effect:
- other: Yield inhibition
- Remarks on result:
- other: (26.7 - 40.1)
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- > 47.6 mg/L
- Nominal / measured:
- meas. (geom. mean)
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other:
- Remarks:
- saturated solution
- Details on results:
- - Exponential growth in the control (for algal test): yes
- Observation of abnormalities (for algal test):
- Unusual cell shape: No
- Colour differences: No
- Flocculation: No
- Adherence to test vessels: No
- Aggregation of algal cells: No
- Other: No
- Any observations (e.g. precipitation) that might cause a difference between measured and nominal values: No
- Effect concentrations exceeding solubility of substance in test medium: No - Results with reference substance (positive control):
- - Results with reference substance valid? Yes
- EC50:
EC50 Values of the Reference Item based on nominal concentrations (mg/L), (0-72 h)
Current Study Valid Range (average ± 3 x SD)
Rate-related inhibition
ErC50 0.69 0.828 ± 0.399
95 % confidence interval 0.64 – 0.74
Yield inhibition
EyC50 0.31 0.352 ± 0.143
95 % confidence interval 0.30 – 0.32 - Reported statistics and error estimates:
- EC10-, EC20- and EC50-values of growth rate and yield inhibition after 72 h were calculated by sigmoidal dose-response regression. Calculation of the confidence intervals EC10-, EC20- and EC50-values were carried out using standard procedures.
Any other information on results incl. tables
EC-Values and 95 % Confidence Intervals of 3,5,5-Trimethylhexanal(0-72 h)
calculated concentrations based on the geometric mean measured DOC content of the test item [mg/L]
EC-Values |
Rate-related inhibition |
ErC10 |
30.4 (23.1 – 38.1) |
ErC20 |
44.6 (36.8 – 47.6) |
ErC50 |
> 47.6* |
Yield inhibition |
|
EyC10 |
16.8 (13.8 – 21.0) |
EyC20 |
20.0 (16.4 – 24.5) |
EyC50 |
33.0 (26.7 – 40.1) |
* = saturated solution
Cell Densities
|
Geometric mean measured test item concentration |
Replicate |
Cell density [cells/mL] |
||||||
[mg/L] |
No. |
0 h |
24 h |
48 h |
72 h |
|
|||
47.6 |
1 |
4878 |
7896 |
42393 |
201779 |
|
|||
2 |
4878 |
7158 |
36844 |
203870 |
|
||||
3 |
4878 |
8610 |
34216 |
171821 |
|
||||
Mean |
4878 |
7888 |
37818 |
192490 |
|
||||
15.1 |
1 |
4878 |
21717 |
148584 |
498286 |
|
|||
2 |
4878 |
21079 |
146932 |
604843 |
|
||||
3 |
4878 |
21410 |
146307 |
478368 |
|
||||
Mean |
4878 |
21402 |
147274 |
527166 |
|
||||
4.68 |
1 |
4878 |
23168 |
174294 |
673457 |
|
|||
2 |
4878 |
21481 |
157299 |
593958 |
|
||||
3 |
4878 |
23050 |
159756 |
684266 |
|
||||
Mean |
4878 |
22566 |
163783 |
650560 |
|
||||
1.19 |
1 |
4878 |
23501 |
153027 |
649792 |
|
|||
2 |
4878 |
20708 |
144032 |
664991 |
|
||||
3 |
4878 |
21661 |
163281 |
712919 |
|
||||
Mean |
4878 |
21957 |
153447 |
675901 |
|
||||
0.98 |
1 |
4878 |
20481 |
153065 |
688452 |
|
|||
2 |
4878 |
23861 |
134082 |
613044 |
|
||||
3 |
4878 |
22121 |
153127 |
629039 |
|
||||
Mean |
4878 |
22154 |
146758 |
643512 |
|
||||
0.32* |
1 |
4878 |
21472 |
160951 |
799071 |
|
|||
2 |
4878 |
22537 |
127533 |
701119 |
|
||||
3 |
4878 |
23082 |
162414 |
707990 |
|
||||
Mean |
4878 |
22364 |
150299 |
736060 |
|
||||
Control |
1 |
4878 |
16271 |
119660 |
470795 |
|
|||
2 |
4878 |
22091 |
132923 |
668094 |
|
||||
3 |
4878 |
19534 |
146006 |
622452 |
|
||||
4 |
4878 |
19717 |
117329 |
520783 |
|
||||
5 |
4878 |
24206 |
125713 |
520688 |
|
||||
6 |
4878 |
20029 |
145012 |
520069 |
|
||||
Mean |
4878 |
20308 |
131107 |
553814 |
|
||||
* = nominal dilution level of the saturated solution [%], not regarded in statistical analysis
Evaluation after 72 h
Geometric mean measured test item concentration |
Replicate |
Yield |
Inhibition of yield |
Growth rate |
Rate-related inhibition |
||
[mg/L] |
No. |
[cells/mL] |
[%] |
[d-1] |
[%] |
||
47.6 |
1 |
196901 |
64.13 |
1.241 |
21.21 |
||
2 |
198992 |
63.75 |
1.244 |
21.00 |
|||
3 |
166943 |
69.59 |
1.187 |
24.62 |
|||
Mean |
187612 |
65.82 |
1.224 |
22.28 |
|||
15.1 |
1 |
493408 |
10.12 |
1.542 |
2.08 |
||
2 |
599965 |
-9.30 |
1.607 |
-2.02 |
|||
3 |
473490 |
13.74 |
1.529 |
2.94 |
|||
Mean |
522288 |
4.85 |
1.559 |
1.00 |
|||
4.68 |
1 |
668579 |
-21.80 |
1.643 |
-4.30 |
||
2 |
589080 |
-7.31 |
1.601 |
-1.64 |
|||
3 |
679388 |
-23.76 |
1.648 |
-4.63 |
|||
Mean |
645682 |
-17.62 |
1.630 |
-3.52 |
|||
1.19 |
1 |
644914 |
-17.48 |
1.631 |
-3.54 |
||
2 |
660113 |
-20.25 |
1.638 |
-4.03 |
|||
3 |
708041 |
-28.98 |
1.662 |
-5.50 |
|||
Mean |
671023 |
-22.24 |
1.644 |
-4.36 |
|||
0.98 |
1 |
683574 |
-24.53 |
1.650 |
-4.76 |
||
2 |
608166 |
-10.79 |
1.611 |
-2.31 |
|||
3 |
624161 |
-13.70 |
1.620 |
-2.85 |
|||
Mean |
638634 |
-16.34 |
1.627 |
-3.31 |
|||
0.32* |
1 |
794193 |
-44.68 |
1.700 |
-7.91 |
||
2 |
696241 |
-26.83 |
1.656 |
-5.15 |
|||
3 |
703112 |
-28.09 |
1.659 |
-5.35 |
|||
Mean |
731182 |
-33.20 |
1.672 |
-6.14 |
|||
Control |
1 |
465917 |
1.523 |
||||
2 |
663216 |
1.640 |
|||||
3 |
617574 |
1.616 |
|||||
4 |
515905 |
1.557 |
|||||
5 |
515810 |
1.557 |
|||||
6 |
515191 |
1.556 |
|||||
Mean |
548936 |
1.575 |
negative
inhibitions = increase of growth
*
= nominal dilution level of the saturated solution [%], not regarded in
statistical analysis
Section-by-Section and Average Specific Growth Rates of the Control Group
Replicate No. |
Specific growth rate [d-1] |
Mean (0 - 72 h) |
SD [±] |
CV |
Mean CV [%] |
|||
section-by-section |
||||||||
0 – 24 h |
24 – 48 h |
48 – 72 h |
||||||
Control |
1 |
1.205 |
1.995 |
1.370 |
1.523 |
0.417 |
27.4 |
17.0 |
2 |
1.510 |
1.795 |
1.615 |
1.640 |
0.144 |
8.77 |
||
3 |
1.387 |
2.011 |
1.450 |
1.616 |
0.344 |
21.3 |
||
4 |
1.397 |
1.784 |
1.490 |
1.557 |
0.202 |
13.0 |
||
5 |
1.602 |
1.647 |
1.421 |
1.557 |
0.120 |
7.69 |
||
6 |
1.412 |
1.980 |
1.277 |
1.556 |
0.373 |
23.9 |
||
Mean |
1.575 |
|
||||||
SD [±] |
0.04 |
|
||||||
CV [%] |
2.78 |
|
SD = Standard deviation CV = percent coefficient of variation
Recovery of Alga Cells
Geometric mean measured test item concentration |
Incubation time [d] |
Cell density [cells/mL] |
Growth rate after incubation time [d-1] |
|
Initial# |
Final |
|||
47.6 |
3 |
9625 |
1118190 |
1.59 |
1263413 |
1.63 |
|||
1318961 |
1.64 |
|||
Control |
27691 |
1168930 |
1.25 |
|
1321737 |
1.29 |
#) calculated from the cell density of the definitive test after 72 h
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- n this study 3,5,5-Trimethylhexanal was found to inhibit the growth of the freshwater green alga Desmodesmus subspicatus after 72 h with the following effect values (geometric mean measured concentrations of the test item): The EC50-values with 95 % confidence intervals for specific growth rate (ErC50) and yield (EyC50) after 72 h were > 47.6 mg/L (> saturated solution of 100 mg/L) and 33.0 (26.7 – 40.1) mg/L, respectively.
All effect levels are given based on geometric mean measured concentrations of 3,5,5-Trimethylhexanal calculated from the DOC content in the dilution levels 1.0 – 3.2 – 10 – 32 – 100 %, corresponding to 0.98 – 1.19 – 4.68 – 15.1 and 47.6 mg 3,5,5-Trimethylhexanal/L. The DOC content of the dilution level 0.32 % was not determinable due to low content. However this dilution level showed no significant effects and was not considered in statistical analysis. - Executive summary:
The toxicity of 3,5,5-Trimethylhexanal the unicellular freshwater green alga Desmodesmus subspicatus was determined according to the principles of OECD 201. The aim of the study was to assess the effects on growth rate and yield production over a period of 72 h.
The study was conducted under static conditions with an initial cell density of approximately 2 - 5 x 103 cells/mL. A saturated solution (The maximum dissolved concentration of the test item that can be achieced under the test conditions in the test medium, acc. to OECD Series, No 23 (2000)6.) of 100 mg/L was prepared. The saturated solution and further five dilution levels were tested in a geometrical series with a dilution factor of √10, nominal: 0.32 - 1.0 - 3.2 - 10 - 32 and 100 % of the saturated solution. Three replicates were tested for the test item dilution levels and six replicates for the control.
The dilution levels of 3,5,5-Trimethylhexanal were analysed at test start and end via DOC-analysis. All effect levels are given based on geometric mean measured concentrations of the test item calculated from the DOC content in the dilution levels 1.0 – 3.2 – 10 – 32 – 100 %, corresponding to 0.98 – 1.19 – 4.68 – 15.1 and 47.6 mg test item/L . The DOC content of the dilution level 0.32 % was not determinable due to low content. However this dilution level showed no significant effects and was not considered in statistical analysis.After 72 h algae were transferred from the geometric mean measured concentration of 47.6 mg/L and the control to fresh untreated medium and allowed to grow for further 3 d under test conditions. The test item effect was observed to be reversible. Therefore, there is potential for recovery following exposure up to the saturated solution.
EC-Values and 95 % Confidence Intervals of 3,5,5-Trimethylhexanal(0-72 h)
calculated concentrations based on the geometric mean measured DOC
content of the test item [mg/L]EC-Values
Rate-related inhibition
ErC10
30.4 (23.1 – 38.1)
ErC20
44.6 (36.8 – 47.6)
ErC50
> 47.6*
Yield inhibition
EyC10
16.8 (13.8 – 21.0)
EyC20
20.0 (16.4 – 24.5)
EyC50
33.0 (26.7 – 40.1)
* = saturated solution
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.