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EC number: 258-751-7 | CAS number: 53767-93-4
- 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
Short-term toxicity to fish
Administrative data
Link to relevant study record(s)
- 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: read-across from a guideline study
- Justification for type of information:
- The read-across justification is presented in the Endpoint summary Short-term toxicity to fish. 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.:
- 6.1 mg/L
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: read-across Citronellyl Acetate ('mono')
- Endpoint:
- short-term toxicity to fish
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- This information is used for read-across to Dihydro Myrcenyl Acetate
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 203 (Fish, Acute Toxicity Test)
- GLP compliance:
- yes (incl. QA statement)
- Analytical monitoring:
- yes
- Details on test solutions:
- PREPARATION AND APPLICATION OF TEST SOLUTION
Each test concentration was freshly prepared on each day (test start and day of test media renewal), by adding the defined volume of test water into the test vessel. Then, the test substance was pipetted into the glass flasks. The flasks were closed and shaken for about 10 min to ensure that the test substance was completely dissolved. - Test organisms (species):
- Danio rerio (previous name: Brachydanio rerio)
- Details on test organisms:
- TEST ORGANISM
- Common name: Zebrafish (Danio rerio)
- Source: Zierfisch-center Klöckner, Ludwigshafen, Germany
- Age at study initiation: approximately 6 month
- Length at study initiation: 3.8 cm (range 3.5 - 4.1 cm)
- Weight at study initiation: 0.46 g (range 0.31 - 0.61 g)
- Feeding during test: 1 day before and during exposure.
ACCLIMATION
- Acclimation period: 14 days
- Type and amount of food: Commercial fish diet Tetra Min, add libitum, and additionally, live brine shrimp (Artemia) on workdays.
- Feeding frequency: daily
- Health during acclimation (any mortality observed): no mortality observed - Test type:
- semi-static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- Hardness:
- 2.5 mmol/l
- Test temperature:
- 23 - 24 °C
- pH:
- 7.6 - 8.1
- Dissolved oxygen:
- 6.7 - 8.7 mg/l
- Nominal and measured concentrations:
- - Nominal concentrations: 0 (control), 1, 2, 4, 8, and 16 mg/L.
- Measured concentrations (mean*): n.d., n.d.**, 1.401, 2.29, 4.61, 8.14, and n.d.
- Measured concentrations (t=0h; fresh): n.d, 0.868, 1.916, 3.59, 7.23, and 12.84 mg/L
- Measured concentrations (t=24h; old): n.d., 1.483, 1.239, 1.245, 2.07, and 3.43 mg/L
- Measured concentrations (t=72h; fresh): n.d.,- Measured concentrations (t=96h; old): n.d., 0.565, 0.935, and 2.65 mg/L (16 mg/L nomnal not analyzed).
* method of calculation of mean not specified. Recalculation by the assessor shows values are arithmetic mean values.
** In the lowest nominal test concentration, the actual concentration decreased below the detection limit at the end of one interval. A mean concentration was not determined. Since this test concentration was far below the no observed effect concentration, the low recovery was not relevant for the test results. Note of the assessor: based on measured concentrations in only the first interval, the mean measured concentration can be calculated to be 0.68 mg/L. - Details on test conditions:
- TEST SYSTEM
- Test vessel: 10 L glass flasks (closed).
- Fill volume: 10 L
- Aeration: none
- Renewal rate of test solution (frequency/flow rate): every 24 hours
- No. of organisms per vessel: 7
- No. of vessels per concentration (replicates): 1
- No. of vessels per control (replicates): 1
- Biomass loading rate: 0.3 g fish/l test water
TEST MEDIUM / WATER PARAMETERS
- Source/preparation of dilution water: Non chlorinated charcoal filtered tap water (Frankenthal, Germany) aerated
- Ca/mg ratio: 8 : 1
- Conductivity: 550 uS/cm (at 25 °C)
OTHER TEST CONDITIONS
- Photoperiod: 16 : 8 hours day-night regime
EFFECT PARAMETERS MEASURED (with observation intervals if applicable) :
Mortality and symptoms of intoxication after 1, 4, 24, 48, 72 and 96 h. - Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 6.1 mg/L
- Nominal / measured:
- meas. (arithm. mean)
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Details on results:
- Mortality was recorded only at the highest tested concentration of 16 mg/L at which all fish were dead after 48 hours exposure. At this concentration tumbling was recorded observed until fish died. At the test concentration of 8 mg/L tumbling was also recorded but only until 4 hours after the start of the test.
- Sublethal observations / clinical signs:
- During the 96 h exposure to citronellylacetat, mortalities were as follows:
Nominal test Cumulative mortalitiy (%) after x hours
concentration 1 / 4 / 24 / 48 / 72 / 96
(mg/l)
Control 0 / 0 / 0 / 0 / 0 / 0
1.0 0 / 0 / 0 / 0 / 0 / 0
2.0 0 / 0 / 0 / 0 / 0 / 0
4.0 0 / 0 / 0 / 0 / 0 / 0
8.0 0 / 0 / 0 / 0 / 0 / 0
16.0 1 / 1 / 1 / 7 / 7 / 7
Symptoms of intoxication:
Nominal test Symptoms of intoxication after x hours
concentration 1 / 4 /24 / 48 / 72 / 96
(mg/l)
Control - / - / - / - / - / -
1.0 - / - / - / - / - / -
2.0 - / - / - / - / - / -
4.0 - / - / - / - / - / -
8.0 T / T / - / - / - / -
16.0 T / T / T / + / + / +
Definitions of Symptoms:
-: No symptoms
+: All fish dead
N: Narcotic-like state
T: Tumbling - Validity criteria fulfilled:
- not specified
- Conclusions:
- The 96-h LC50 value in fish (D. rerio) is 6.1 mg/L in zebrafish based on measured concentrations.
Referenceopen allclose all
Description of key information
The short-term toxicity to fish is assessed based on read-across from the close structural analogue Citronellyl Acetate. For Dihydro Myrcenyl Acetate, the 96 -h LC50 value is determined at 6.1 mg/L.
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 6.1 mg/L
Additional information
The short-term toxicity to fish is assessed based on read-across from Citronellyl Acetate to Dihydromyrcenyl acetate. The executive summaries of the source information are presented below, followed by the read-across rationale.
Citronellyl acetate acute fish toxicity
For Citronellyl Acetate ('mono'), the toxicity to fish was examined in a study according to OECD TG 203, and in compliance with GLP criteria. In this study, groups zebrafish (1 replicate of 7) were exposed to nominal concentrations of 0 (control), 1, 2, 4, 8, and 16 mg/L for 96 hours under semi-static conditions (24-h renewal of test media). Test substance analysis was performed at start and end of the first and the last renewal period for all concentrations except 16 mg/L which was analyzed only over the first period. Analytically determined concentrations of the test substance in the test water were in a range of ± 20% of the nominal concentration at the start of the intervals and decreased to 21.4 - 62.0 % of the nominal concentration at the end of exposure periods. This was considered most likely due to evaporation of the test substance. Arithmetic mean measured concentrations were determined to be 0.68, 1.4, 2.29, 4.61, and 8.14 mg/L for the different nominal concentrations, respectively. Effect values are expressed as measured. Mortality and symptoms of intoxication were recorded at 1, 4, 24, 48, 72 and 96 hours after the start of the test.
Mortality was recorded only at the highest tested concentration of 16 mg/L at which all fish were dead after 48 hours exposure. At this concentration tumbling was recorded observed until fish died. At the test concentration of 8 mg/L tumbling was also recorded but only until 4 hours after the start of the test. Based on these findings, the 96-h LC50 was determined to be 6.1 mg/L.
Fish acute toxicity ofDihydro Myrcenyl Acetate using read across from data available for Citronellyl acetate (CAS# 150-84-5).
Introduction and hypothesis for the analogue approach
Dihydro Myrcenyl Acetate has a C8 alk-1-ene chain with at C2 an acetate ester group and two methyl groups at C3 and C7.For Dihydromyrcenyl acetatethere is no experimental acute fish toxicity data available. In accordance with Article 13 of REACH, lacking information can be generated whenever possible by means other than vertebrate animal tests, i.e. applying alternative methods such as in vitro tests, QSARs, grouping and read-across.For assessing the fish acute toxicity ofDihydromyrcenyl acetate, the analogue approach is selected because for a close structural analogue, Citronellyl acetate, experimental data is available, which can be used for read across.
Hypothesis:Dihydro Myrcenyl Acetatehas similar aquatic toxicity potential as the read-across source chemical Citronellyl acetate.
Available information: ForCitronellyl acetate, acute fish toxicity data is available from a GLP guideline study. In this study, the 96-h LC50 is determined to bein the range of 1 - 10 mg/L. The available data is reliable.
In more detail:The toxicity to fish was examined in a study according to OECD TG 203, and in compliance with GLP criteria. In this study, groups zebrafish (1 replicate of 7) were exposed to nominal concentrations of 0 (control), 1, 2, 4, 8, and 16 mg/L for 96 hours under semi-static conditions (24-h renewal of test media). Test substance analysis was performed at start and end of the first and the last renewal period for all concentrations except 16 mg/L which was analysed only over the first period. Analytically determined concentrations of the test substance in the test water were in a range of ± 20% of the nominal concentration at the start of the intervals and decreased to 21.4 - 62.0 % of the nominal concentration at the end of exposure periods. This was considered most likely due to evaporation of the test substance. Arithmetic mean measured concentrations were determined to be 0.68, 1.4, 2.29, 4.61, and 8.14 mg/L for the different nominal concentrations, respectively. Effect values are expressed as measured. Mortality and symptoms of intoxication were recorded at 1, 4, 24, 48, 72 and 96 hours after the start of the test. Mortality was recorded only at the highest tested concentration of 16 mg/L at which all fish were dead after 48 hours exposure. At this concentration tumbling was recorded observed until fish died. At the test concentration of 8 mg/L tumbling was also recorded but only until 4 hours after the start of the test. Based on these findings, the 96-h LC50 was determined to be 6.1 mg/L.
Target chemical and source chemical
Chemical structures of the target chemical and the source chemical are shown in the data matrix, including physico-chemical properties and available ecotoxicologicalinformation.
Purity / Impurities
Both Dihydro Myrcenyl Acetate and Citronellyl acetate are mono-constituents with purities of close to 100%.Neither Dihydro Myrcenyl Acetate norCitronellyl acetatecontain any impurities that are considered to impact the assessment of aquatic toxicity from read across.
Analogue approach justification
According to Annex XI section 1.5, read across can be used to replace testing when the similarity can be based on a common backbone and a common functional group.When using read across the result derived should be applicable for C&L and/or risk assessment and it should be presented with adequate and reliable documentation, which is presented below.
Analogue selection: For Dihydromyrcenyl acetate the analogueCitronellyl acetate was selected as an analogue for read-across because these substances are structurally similar and for Citronellyl acetate experimental acute fish toxicity is present.
Structural similarities and differences:Both Dihydromyrcenyl acetate and Citronellyl acetate have a similar hydrocarbon alkene backbone and a functional acetic ester group. The site of the double bond (at the end of the chain for Dihydromyrcenyl acetate and in the middle for the analogue will not make a difference in reactivity because it is not conjugated with the ester group in both substances.
Bioavailability: Based on the physico-chemical properties and environmental fate properties available for both the source-, and the target chemical, no significant difference in bioavailability, uptake, and ultimate internal concentrations is to be expected. Most importantly, both substances have comparable log Kow values (<0.5 difference), which is considered to be the most important screening parameter for bioavailability with respect to short-term aquatic toxicity endpoints.
Reactivity:Dihydromyrcenyl acetateandCitronellyl acetateare expected to have the same reactivity because they are both aceticesters without any additional reactive functional groups. The double bonds, at different sites in the chain are not near the ester functionality and therefore do not increase the ester reactivity.
Conversion of the effect values: No conversion is needed because the molecular weights and log Kow are very similar between Dihydromyrcenyl acetate and Citronellyl acetate.
Uncertainty of the prediction:There are no uncertainties other than those already addressed above.
Data matrix
The relevant information on physico-chemical properties and other environmental fate properties are presented in the Data Matrix below.
Conclusions on acute fish toxicity
For Dihydromyrcenyl acetate acute fish toxicity is not available. Information from Citronellyl acetate is used for read-across. 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. This documentation is presented in the current text. For the analogue Citronellyl acetate, reliable information is available in which a 96-h LC50 of 6.1 mg/L is reported (OECD TG 203), this effect value can be directly used for read across to Dihydromyrcenyl acetate because of similar molecular weight and log Kow values.
Final conclusion: Dihydromyrcenyl acetate has an LC50 fish value of 6.1 mg/L
Data matrix presenting the information relevant for read across to Dihydro Myrcenyl Acetate from Citronellyl acetate
Common names |
Dihydro Myrcenyl Acetate |
Citronellyl acetate |
Read-across |
Target chemical |
Source chemical |
Chemical name |
2,6-dimethyloct-7-en-2-yl acetate |
3,7-dimethyloct-6-en-1-yl acetate |
Chemical structure |
|
|
CAS No. |
53767-93-4 |
150-84-5 |
EC No. |
258-751-7 |
205-775-0 |
REACH registration |
2018 |
Registered |
Empirical formula |
C12H22O2 |
C12H22O2 |
Molecular weight |
198.3 |
198.3 |
Physico-chemical data |
|
|
Physical state |
Liquid |
Liquid |
log Kow |
4.9 (IFF measured) |
4.9 (ECHA dissemination site) |
Vp (Pa) |
14.4 (IFF measured) |
15.9 (ECHA dissemination site) |
Ws (mg/L) |
6.1 (IFF measured) |
2.0 (ECHA dissemination site) |
Aquatic toxicity data |
|
|
Fish LC50 in mg/l |
6.1 (Read across) |
6.1 (OECD TG 203) |
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.
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