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EC number: 219-868-9 | CAS number: 2556-10-7
- 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
Endpoint summary
Administrative data
Description of key information
In the table below the aquatic toxicity data are summarised
Species |
Guideline |
Result in mg/L |
Remarks |
Fish |
ECOSAR |
96h LC50 = 7.2 |
Key result, Rel. 2 based on (Q)SAR calculation |
Daphnia magna |
Read across |
48h EC50 = 15.6 based on measured arithmetic mean concentrations |
Key study, Rel.2, based on read across data from Hyacinth body #3, tested in OECD TG 202. Geometric mean of EC0 and EC100 |
Pseudokirchneriella subcapitata |
Read across |
72h ErC50 = 8.4 72h ErC10 = 5.8 based on measured TWA concentration |
Key study, Rel.2 based on read across from Hyacinth body #3, tested in OECD TG 201 |
Microorganisms |
OECD TG 209 |
3h EC50 = 307 3h EC10 = 60 |
Key study, Rel.1 |
For daphnia and algae recalculation of the ECx values was checked based on MW and log Kow values. These recalculated values did not change the values significantly (factor 1.1), nor would these values impact the classification and labelling. Worst case values of the source substance Hyacinth body #3 were maintained.
Additional information
Read across justification for algae and Daphnia ecotoxicity values:
Hyacinth body (target; CAS no. 2556-10-7) and its aquatic toxicity for freshwater algae and invertebrates using read across information from Hyacinth body #3 (source; CAS no. 7493-57-4)
Introduction and hypothesis for the read across
Hyacinth body has a benzyl ring with an ethyl chain to which an acetal is attached and another ethyl chain. For this substance no aquatic toxicity data (algae and Daphnia) are available. Therefore additional information is used in accordance with Article 13 of REACH where it is said that lacking information could 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 to algae and Daphnia the analogue approach is selected because for one closely related analogue, Hyacinth body#3, aquatic toxicity studies are available which can be used for read across.
Hypothesis: Hyacinth body is expected to have similar algae and Daphnia toxicity as its analogue, Hyacinth body #3.
Available experimental information: For the structurally related source chemical, Hyacinth body #3, both an algae and Daphnia guideline toxicity test are available. The studies are considered reliable (K1 and K2, respectively) and can be used for assessment purposes. The 48h EC50 for Daphnia was concluded at 15.6 mg/L, for algae the 72h ErC50 and 72h ErC10 were concluded at 8.4 and 5.8 mg/L, respectively.
Target and Source chemical(s):
Chemical structures of the target chemical (Hyacinth body) and the source chemical (Hyacinth body #3) are shown in the data matrix below, including physico-chemical properties and toxicological information, considered relevant for the aquatic toxicity.
Purity / Impurities:
Hyacinth body (target) and Hyacinth body #3 (source) are mono-constituents. The impurities in both target and source are all below 2 %.
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: Hyacinth body #3 was selected as an analogue, being the very close analogue (it has just one carbon more than Hyacinth body) and being a substance from IFF portfolio, for which the adequate data are available.
Structural similarities and differences: The target chemical, Hyacinth body, and the source chemical, Hyacinth body #3, have the same backbone and have the same functional group: both are acetal. The only structural difference is that Hyacinth body (target) has one aliphatic CH2group less compared to Hyacinth body #3 (ethoxy compared to propoxy, respectively).
Bioavailability: The target and the source chemical have similar bioavailability. The water solubility and log Kow show the one methyl group difference between these two. The water solubility of Hyacinth body is somewhat higher and the log Kow somewhat lower compared to Hyacinth body3, which can be expected due to the additionalCH2group in Hyacinth body#3.
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 neutral organics. The ecotoxicity is driven by the Log Kow.
Remaining uncertainties: There are no remaining uncertainties considering bioavailability and mode of action. In view of Hyacinth body having the lower molecular weight and lower log Kow the ecotoxicity values can be converted. This is not considered necessary because the ecotoxicity values remain roughly the same: The converted results would become for Daphnia and algae: 48h EC50 =17 mg/L; 72 ErC50 = 9.2 mg/L; 72h ErC10 = 6.3 mg/L, respectively. Since the conversion factor was only 1.09 and the results therefore do not change the classification and labelling under GLP, the original (worst case) values from Hyacinth body #3 are 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 freshwater algae and invertebrates
For assessing the acute toxicity to Daphnia and algae and the chronic toxicity to algae, read across is applied for Hyacinth body (target) from Hyacinth body #3 (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 Hyacinth body the following information from Hyacinth body #3 can be used: 72h-ErC50 and ErC10 for algae of 8.4 mg/L and 5.8 mg/L respectively and the EC50 for Daphnia of 15.6 mg/L. These values can be directly used for Hyacinth body because the conversion does not result in a significant change in the result (conversion factor is 1.09).
Final conclusion on hazard: Hyacinth body has the following ecotoxicity values: the 72h-ErC50 and ErC10 for algae and the EC50 for Daphnia are 8.4 mg/L, 5.8 mg/L and 15.6 mg/L respectively.
Data matrix for the read across from Hyacinth body #3 to Hyacinth body
CHEMICAL NAME |
Hyacinth body |
Hyacinth body #3 |
Molecular structure |
|
|
CAS |
2556-10-7 |
7493-57-4 |
REACH registration |
For 2018 |
For 2018 |
Einecs |
219-868-9 |
231-327-9 |
Tanimoto* |
1 |
0.93 |
Molecular weight |
194.28 |
208.30 |
Physico-chemical properties |
||
Appearances |
Liquid |
Liquid |
Melting point (°C) |
<-20 (IFF, 2015) |
<-20 (IFF, 2015) |
Boiling point (°C) |
248.2 (IFF, 2015) |
263.4 (IFF, 2015) |
Vapour pressure (Pa, at 24oC) |
3.1 (IFF, 2015) |
0.60 (IFF, 2015) |
Water solubility (mg/L, at 20˚C) |
453 (IFF, 2015) |
86.0 (IFF, 2015) |
LogKow |
3.5 (IFF, 2015) |
4.1 (IFF, 2015) |
LogKow (calculated**) |
2.91 |
3.40 |
Ecotoxicity values |
|
|
Acute toxicity |
|
|
Daphnia 48h EC50 (mg/L) |
Read across |
15.6 |
Algae 72h ErC50 (mg/L) |
Read across |
8.4 |
Chronic toxicity |
|
|
Algae 72h ErC10 (mg/L) |
Read across |
5.8 |
*The Tanimoto similarity of the selected analogue to Hyacinth body was calculated using Chemmine tools: http://chemmine.ucr.edu/similarity/.
** Calculated in EPISuite
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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