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EC number: 262-810-2 | CAS number: 61477-95-0
- 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 aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- The calculation was using the scientific acceptable software program as recommended in REACH Guideline R.6 under REACH Regulation (EC) No 1907/2006.
SMILES (used for QSAR prediction): C(=O)(O)c1ccc(S(=O)(O)=NCl)cc1
ID of substance (used for QSAR prediction)
EC Number 262-810-2 Registry Number 61477-95-0 PubChem CID
Chemical Name monalazone disodium
Molecular Formula C7 H6 CL1 N1 O4 S1 Molecular weight (g/mole) 235.64 - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- GLP compliance:
- not specified
- Test organisms (species):
- Daphnia magna
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 196.56 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: Leadscope
- Basis for effect:
- mortality
- Remarks on result:
- other: Domain: IN
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 117.484 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: Battery
- Basis for effect:
- not specified
- Remarks on result:
- other: Domain: IN
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Predicted value 117.484 and 196.5663 mg/l
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- The calculation was using the scientific acceptable software program as recommended in REACH Guideline R.6 under REACH Regulation (EC) No 1907/2006.
SMILES (used for QSAR prediction): C(=O)(O)c1ccc(S(=O)(O)=NCl)cc1
ID of substance (used for QSAR prediction)
EC Number 262-810-2 Registry Number 61477-95-0 PubChem CID
Chemical Name monalazone disodium
Molecular Formula C7 H6 CL1 N1 O4 S1 Molecular weight (g/mole) 235.64 - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- GLP compliance:
- not specified
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 36 627.262 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: Most Toxic Class: Neutral Organic SAR
- Basis for effect:
- mortality
- Remarks on result:
- other: Domain: IN, Max. Log Kow for Most Toxic Class: 5
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 4 081.796
- Nominal / measured:
- estimated
- Conc. based on:
- not specified
- Basis for effect:
- mortality
- Remarks on result:
- other: Neutral Organic SAR
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Study period:
- 2005
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Justification for type of information:
- Read-across justification is provided in Appendix 3 of the CSR.
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)
- Deviations:
- not specified
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Methyl 4-hydroxybenzoate
- Molecular weight: 152.15
- Analytical purity: minimum 99%
- Source: used as purchased from Wako Pure Chemical Industries, Osaka, Japan. - Analytical monitoring:
- not specified
- Details on sampling:
- The concentrations of the resultant solutions were checked before and after (48 h) exposure experiments by UV spectra.
- Vehicle:
- no
- Details on test solutions:
- To prepare the highest test solution, a test compound was dissolved in the aerated test medium and the pH was, where necessary, adjusted carefully with 1 mol/L NaOH solution to 7.45 ± 0.05, and then diluted to prepare a series of test solutions. Test medium used was ‘‘moderately hard water’’ prepared from deionized and distilled water (total hardness, ca. 100 mg CaCO3 /L; USEPA, 1993), and after aeration the pH was adjusted to 7.45 ± 0.05 with 1 mol l/L HCl.
- Test organisms (species):
- Daphnia magna
- Details on test organisms:
- TEST ORGANISM
- Common name: Daphnia magna
- Source: National Institute for Environmental Studies (NIES), Tsukuba, Japan
- Age at study initiation: Neonatal daphnids (<24 h old) from 2–3-week-old mothers were obtained from continuous cultures
- Method of breeding: Daphnids were obtained from continuous cultures in 1 liter glass beakers at 21 ± 0.3 °C, in dechlorinated and conditioned tap
water (total hardness, ca. 100 mg l/L1 as CaCO3; pH 7.5 ± 0.1), 16 h light: 8 h dark photoperiod and a density of below 20 per beaker. The medium was renewed three times a weak and daphnids were fed daily with the green alga Selenastrum capricornutum NIES-35 (3.0–3.5 x 108 cells/L) - Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Remarks on exposure duration:
- no data
- Post exposure observation period:
- no data
- Hardness:
- ca. 100 mg l/L1 as CaCO3
- Test temperature:
- 21 ± 0.3 °C
- pH:
- 7.45 ± 0.05
- Dissolved oxygen:
- no data
- Salinity:
- no data
- Conductivity:
- no data
- Nominal and measured concentrations:
- Nominal concentrations: 0.05 - 0.5 mmol/L measured concentrations: no data
- Details on test conditions:
- Neonates (<24 h old) from 2–3-week-old mothers were placed in a 50 ml glass beaker containing 40 ml of a test solution. All experiments for exposure and controlswithout chemicals were made in four replicates and performed at 21 ± 0.3 °C under 16 h light: 8 h dark photoperiod.
Immobility was used as the endpoint for determining acute toxicity; the daphnids showing no movement within 15 s after gentle stirring were defined to be immobile. After 24 and 48 h, the number of immobile daphnids was recorded to determine the concentration able to achieve 50% immobilization and it was indicated as EC50. - Reference substance (positive control):
- not specified
- Duration:
- 24 h
- Dose descriptor:
- EC50
- Effect conc.:
- 70 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: 0.46 mmol/L (95% CL: 0.41-0.59 mmol/L)
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 41.1 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: 0.27 mmol/L (95% CL: 0.23-0.31 mmol/L)
- Reported statistics and error estimates:
- Probit analysis (USEPA, 1993)
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The short-term toxicity to Daphnia magna was determined in a study similar to OECD guideline and the EC50 after 48 hours was determined to be 41.1 mg/L.
- Executive summary:
The short-term toxicity to Daphnia magna was determined in a study similar to OECD guideline. The EC50 after 48 hours was determined to be 41.1 mg/L.
Referenceopen allclose all
ECOSAR Version 1.11 Results Page
SMILES : c1cc(ccc1C(=O)O)S(=O)(=O)NCL
User SMILES: c1cc(ccc1C(=O)O([Na]))S(=O)(=O)N([Na])CL
CHEM : Monalazone disodium
CAS Num: 61477-95-0
ChemID1:
MOL FOR: C7 H6 CL1 N1 O4 S1
MOL WT : 235.64
Log Kow: 0.170 (EPISuite Kowwin v1.68 Estimate)
Log Kow: (User Entered)
Log Kow: (PhysProp DB exp value - for comparison only)
Melt Pt: (User Entered for Wat Sol estimate)
Melt Pt: (deg C, PhysProp DB exp value for Wat Sol estimate)
Wat Sol: 2.029E+004 (mg/L, EPISuite WSKowwin v1.43 Estimate)
Wat Sol: (User Entered)
Wat Sol: (PhysProp DB exp value)
--------------------------------------
Values used to Generate ECOSAR Profile
--------------------------------------
Log Kow: 0.170 (EPISuite Kowwin v1.68 Estimate)
Wat Sol: 2.029E+004 (mg/L, EPISuite WSKowwin v1.43 Estimate)
--------------------------------------
ECOSAR v1.11 Class-specific Estimations
--------------------------------------
Amides -acid
***************************************************************************
* NOTE: METAL ([Na], [Li] or [K]) HAS BEEN REMOVED FOR PROPER ESTIMATION. *
* SALTS SHOULD BE ENTERED IN ECOSAR AS THE NEUTRAL NON-SALT FORM OF THE *
* MOLECULE CORRESPONDING TO EITHER THE FREE BASE OR CONJUGATE ACID. *
* SEE HELP MENU FOR MORE INFORMATION *
***************************************************************************
Predicted
ECOSAR Class Organism Duration End Pt mg/L (ppm)
=========================== ================== ======== ====== ==========
--> Acid moeity found: Predicted values multiplied by 10
Amides -acid : Fish 96-hr LC50 14318.632
Amides -acid : Daphnid 48-hr LC50 36627.262 *
Amides -acid : Green Algae 96-hr EC50 303.437
Amides -acid : Fish ChV 8.272
Amides -acid : Daphnid ChV 613.986
Amides -acid : Green Algae ChV 131.730
Amides -acid : Fish (SW) 96-hr LC50 12415.131
Amides -acid : Mysid (SW) 96-hr LC50 440.855
=========================== ================== ======== ====== ==========
Neutral Organic SAR : Fish 96-hr LC50 8511.740
(Baseline Toxicity) : Daphnid 48-hr LC50 4081.796
: Green Algae 96-hr EC50 1512.181
: Fish ChV 681.676
: Daphnid ChV 248.753
: Green Algae ChV 271.844
Note: * = asterisk designates: Chemical may not be soluble enough to
measure this predicted effect. If the effect level exceeds the
water solubility by 10X, typically no effects at saturation (NES)
are reported.
------------------------------
Class Specific LogKow Cut-Offs
------------------------------
If the log Kow of the chemical is greater than the endpoint specific cut-offs
presented below, then no effects at saturation are expected for those endpoints.
Amides :
-------
Maximum LogKow: >8.5 (LC50)
Maximum LogKow: >8.0 (EC50,ChV)
Baseline Toxicity SAR Limitations:
---------------------------------
Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50)
Maximum LogKow: 6.4 (Green Algae EC50)
Maximum LogKow: 8.0 (ChV)
Description of key information
Testing on aquatic invertebrates was considered not necessary as alternatives to animal testing were available and they demonstrated to be sufficient to fulfil the requirement of Annex VII 9.1.1 on Short-term toxicity testing on aquatic invertebrates. Therefore, the general rules for adaption 1.2, 1,3 and 1.5 of Annex XI of REACH regulation were applied. The results obtained from QSARs models indicated the absence of hazardous to the aquatic environment and the testing with the registered substance was considered not reasonable. Furthermore, read across data from a similar substance was used as supporting information.
The following data has been taken into account for the hazard assessment:
-48h LC50: 4081 mg/L (ECOSAR v1.11)
-48h LC50: 196.56 mg/L; EC50: 117.484 mg/L; (Danish QSAR Database)
-48h EC50: 41.1.5 mg/l (read across)
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 196 mg/L
Marine water invertebrates
Marine water invertebrates
- Effect concentration:
- 196 mg/L
Additional information
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.