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EC number: 223-861-6 | CAS number: 4098-71-9
- 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:
- experimental study
- Adequacy of study:
- key study
- Study period:
- no information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study well documented, meets generally accepted scientific principles. However, the study is limited by several restrictions: no standard guideling, use of solvent DMSO, no analytical monitoring, etc.
- Principles of method if other than guideline:
- Method: see Reference / Test Conditions
- GLP compliance:
- not specified
- Analytical monitoring:
- no
- Vehicle:
- yes
- Details on test solutions:
- STOCK AND TEST SOLUTION AND THEIR PREPARATION
- Solvent: dimethyl sulfoxide, CAS No. 67-68-5
- Concentration of solvent: max. 0.1 ml per l - Test organisms (species):
- other: Chaetogammarus marinus (Crustacea, marine)
- Details on test organisms:
- TEST ORGANISMS
- Breeding method: laboratory culture
- Age: young gammarids, 5 +/- 1 mm long
- Feeding: Fucus sp. and/or Tetramin - Test type:
- semi-static
- Water media type:
- saltwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- Test temperature:
- 15 °C +/- 1 °C
- pH:
- approx. 8 (between 7.8 and 8.3)
- Dissolved oxygen:
- "almost saturated for the whole study duration"
- Salinity:
- 28 o/oo
- Nominal and measured concentrations:
- 0.18; 0.32; 0.56; 1.0; 1.8; 3.2; 5.6; 10 mg/l
- Details on test conditions:
- TEST SYSTEM
- Renewal of test solution: once a day
- Exposure vessel type: 1 l glass beaker, covered with watch glass
- Number of replicates, individuals per replicate: 2, 10
- Feeding during test: some Fucus sp. and/or Tetramin; reason: to prevent cannibalism
CONTROLS
- Control group: (1) blank seawater; (2) solvent in seawater
DILUTION WATER
- Source: natural seawater from Eastern Scheldt (NL), filtered through sand, activated charcoal, and 0.2 um millipore filter
- Aeration: no - Reference substance (positive control):
- not specified
- Duration:
- 96 h
- Dose descriptor:
- NOEC
- Effect conc.:
- 0.56 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- other: any change from the control
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 4 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Remarks on result:
- other: CL: 3.5-4.5
- Duration:
- 72 h
- Dose descriptor:
- LC50
- Effect conc.:
- 4.8 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Remarks on result:
- other: CL: 4.3-5.5
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 5.5
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Remarks on result:
- other: CL: 5.0-6.1
- Duration:
- 24 h
- Dose descriptor:
- LC50
- Effect conc.:
- 6.9 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Remarks on result:
- other: CL: 6.0-7.9
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The EC50 (96 hours) was determined as 4.0 mg/L indicating that the test substance may be toxic to marine invertebrates.
- Executive summary:
The marine crustancean Chaetogammarus marinus was exposed to the test substance at nominal concentrations ranging from 0.18 mg/L to 10 mg/L for a period of 96 hours. The test solutions were renewed daily. The following endpoint was derived:
LC50 (96 hours): 4.0 mg/L; CL: 3.5 mg/L - 4.5 mg/L
The study was assessed as "reliable with restrictions".
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 1999-09-14 to 1999-09-16
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study with acceptable restrictions: Test substance not stable under test conditions; 3 instead of 5 treatment levels
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.2 (Acute Toxicity for Daphnia)
- Version / remarks:
- (1992)
- GLP compliance:
- yes
- Analytical monitoring:
- yes
- Details on sampling:
- - at test start and after 48 hours of exposure
- Vehicle:
- no
- Details on test solutions:
- STOCK AND TEST SOLUTION AND THEIR PREPARATION
- Dispersion: ultra-turrax treatment for 60 seconds at 8000 rpm, followed by stirring with a magnetic stirrer for 24 hours and filtration (folded filter) at pore size 7-12 um
- Other procedures: 120 mg/l stock solution - Test organisms (species):
- Daphnia magna
- Details on test organisms:
- TEST ORGANISMS
- Strain: Daphnia magna STRAUS, parthenogenetic females
- Source/supplier: Origin German Federal Health Office (BGA); laboratory bred inhouse
- Age: 0-24 hours
- Control group: M4-Medium according to Elendt and BGA (1992) - Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Test temperature:
- 20.0-20.4 degree C (at 48 hours)
- pH:
- 7.9-8.0 (at 48 hours)
- Dissolved oxygen:
- 8.1-8.4 mg/l (at 48 hours)
- Nominal and measured concentrations:
- - 18.5; 37; 74 mg/l (nominal)
- 12; 24; 47 mg/l (24 hours)
- 13; 25; 50 mg/l (48 hours) - Details on test conditions:
- TEST SYSTEM
- Exposure vessel type: cylindrical test vessels, 4.0 cm diameter, 6.5 cm height, with 20 ml test medium
- Number of replicates, individuals per replicate: 2 replicates with 10 individuals each
- Photoperiod: 16 hours light / 8 hours dark
DILUTION WATER
- Hardness: 14.2 degree German hardness
- Holding water: M4-Medium according to Elendt and BGA (1992)
TEST PARAMETER
- number of immobile daphnids - Reference substance (positive control):
- not specified
- Duration:
- 48 h
- Dose descriptor:
- EC0
- Effect conc.:
- 19 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 35 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: 30.9-39.7
- Duration:
- 48 h
- Dose descriptor:
- EC100
- Effect conc.:
- 73 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Details on results:
- The 48h-EC50 value was calculated using ToxRatProgram Version 2.09 (probit analysis). This value was derived from a re-calculation (2006) which
was required due to regulatory changes. However, this calculation was based on only 3 treatment levels limiting the reliablity of the statistical analysis. - Validity criteria fulfilled:
- not specified
- Conclusions:
- The EC50 (48 hours) for Daphnia magna was calculated to be 35 mg/L indicating that the test substance may be harmful to aquatic invertebrates.
- Executive summary:
Daphnia magna were exposed to the test item in a static 48-h test with three test concentrations ranging from 18.5 to 74 mg/L plus control. The test was conducted by Bayer AG (2000) according to EU method C.2. The following endpoint was derived:
EC50 (48h) Daphnia magna: 35 mg/L
The study was assessed as "reliable with restrictions".
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1995-05-09 to 1995-05-11
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study with acceptable restrictions: Test substance not stable under test conditions (rapid hydrolysis)
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.2 (Acute Toxicity for Daphnia)
- Version / remarks:
- (1992)
- GLP compliance:
- yes
- Analytical monitoring:
- yes
- Vehicle:
- no
- Details on test solutions:
- STOCK AND TEST SOLUTION AND THEIR PREPARATION
- 1 g/l test substance was stirred for approx. 18 hours in synthetic freshwater and filtered. DOC 279 mg/l = 430 mg test substance/l.
STABILITY OF THE TEST CHEMICAL SOLUTIONS
- Hydrolysis was expected but not quantified. - Test organisms (species):
- Daphnia magna
- Details on test organisms:
- TEST ORGANISMS
- Strain: Daphnia magna STRAUS clone 5
- Source/supplier: Hüls AG (inhouse)
- Breeding method: in 1 l jars with dechlorinated drinking water, water renewal each 2-3 days, isolation of juveniles for further breeding each
approx. 4 weeks
- Age: < 24 hours
- Feeding: Desmodesmus subspicatus, as much as consumed
- Pretreatment: Filtration of adults 24 h prior to testing - Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Test temperature:
- - Test temperature: 20 +/- 1 degree C
- pH:
- - pH: 7.8-8.0
- Dissolved oxygen:
- - Dissolved oxygen: 8.4-8.6 mg/l
- Nominal and measured concentrations:
- 5.2; 8.6; 15; 26; 43; 73 mg/l (nominal)
0 h analysis: 2.8; 5.7; 9.8; 17.7; 34.2; 67.4 mg/l
48 h analysis: 3.6; 5.9; 10.5; 18.0; 32.0; 62.2 mg/l - Details on test conditions:
- TEST SYSTEM
- Exposure vessel type: glass jars with 10 ml test solution
- Number of replicates, individuals per replicate: 4 replicates with 5 animals each (including control)
DILUTION WATER
- Source: Synthetic: CaCl2 x 2 H2O: 294 mg/l ; MgSO4 x 7 H2O: 123 mg/l ; NaHCO3: 63 mg/l; KCl: 5.5 mg/l
- Ca/Mg ratio: 4:1
- Na/K ratio: 10:1
- Aeration: no
OTHER TEST CONDITIONS
- Feeding during test: no
- Control group: blank synthetic freshwater
- Adjustment of pH: no
- Photoperiod: darkness
STATISTICAL METHODS:
- EC50 values were calculated by graphic interpolation - Reference substance (positive control):
- yes
- Remarks:
- potassium dichromate, CAS No. 7778-50-9
- Duration:
- 48 h
- Dose descriptor:
- EC0
- Effect conc.:
- 18 mg/L
- Nominal / measured:
- meas. (geom. mean)
- Conc. based on:
- dissolved
- Remarks:
- (DOC)
- Basis for effect:
- mobility
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 27 mg/L
- Nominal / measured:
- meas. (geom. mean)
- Conc. based on:
- dissolved
- Remarks:
- (DOC)
- Basis for effect:
- mobility
- Remarks on result:
- other: CL: 18-33 mg/L
- Duration:
- 48 h
- Dose descriptor:
- EC100
- Effect conc.:
- > 65 mg/L
- Nominal / measured:
- meas. (geom. mean)
- Conc. based on:
- dissolved
- Remarks:
- (DOC)
- Basis for effect:
- mobility
- Duration:
- 24 h
- Dose descriptor:
- EC50
- Effect conc.:
- 49 mg/L
- Nominal / measured:
- meas. (geom. mean)
- Conc. based on:
- dissolved
- Remarks:
- (DOC)
- Basis for effect:
- mobility
- Remarks on result:
- other: CL: 33-65 mg/L
- Details on results:
- - The EC0 was defined as the highest test concentration with an effect <= 10 %.
- Results with reference substance (positive control):
- - Concentrations: 1 mg/l; 2 mg/l
- Results: 40 %; 100 % immobilization after 24 hours - Validity criteria fulfilled:
- not specified
- Conclusions:
- The EC50 (48 hours) was determined as 27.0 mg/L indicating that the test substance may be harmful to aquatic invertebrates.
- Executive summary:
Daphnia magna were exposed to the test item in a static 48 -h test. The test was conducted by Hüls AG (1995) according to EU method C.2. Six concentrations ranging from 5.2 to 73 mgL (nominal) were tested. The following endpoint was derived:EC50 (48h) Daphnia magna: 27 mg/L
Due to fast hydrolysis it is assumed that the observed effect is rather attributed to the hydrolysis product than to the parent substance. The study was assessed as "reliable with restrictions".
Referenceopen allclose all
- Nominal/ measured concentrations:
nominal / 0 hours / 48 hours / evaluation
test s. / TOC / TOC / test s.
----------------------------------------------
control / <2 / <2 / 0 mg/l
18.5 / 12 / 13 / 19 mg/l
37 / 24 / 25 / 37 mg/l
74 / 47 / 50 / 73 mg/l
TOC has to be multiplied with 1.5 to correspond with test substance. The arithmetic means of the two analytical values were used for the evaluation.
----------------------------------------------
- Effect data (Immobilization):
---------------------------------------------
nominal / analytical / 24 hours / 48 hours
---------------------------------------------
control / 0 mg/l / 0 % / 0 %
18.5 / 19 mg/l / 0 % / 0 %
37 / 37 mg/l / 0 % / 60 %
74 / 73 mg/l / 70 % / 100 %
---------------------------------------------
EC0 (highest concentration without effect): 37 mg/l (24 h); 19 mg/l (48 h)
EC50: not determined (24 h); 35 mg/l (48 h) (95 % CL: 30.9 - 39.7 mg/l)
EC100 (lowest concentration with 100 % effect): >73 mg/l (24 h); 73 mg/l (48 h)
EC50 (48 h) was determined by probit analysis using nominal concentrations, since recovery rates of the analytical results were > 80 %. For this calculation, inhibitions of 0 % and 100 % were replaced by 0.1 % and 99.9 %, respectively.
- evaluation (geometric mean of measured concentrations):
3.2; 5.8; 10.0; 18.0; 33.0; 65.0 mg/l
- Effect data (Immobilization):
control; 3.2 mg/l; 5.8 mg/l: no immobilization
10 mg/l: 0 % after 24 hours, 5 % after 48 hours
18 mg/l: 0 % after 24 and 48 hours
33 mg/l: 20 % after 24 hours, 75 % after 48 hours
65 mg/l: 70 % after 24 hours, 95 % after 48 hours
Description of key information
Daphnia magna were exposed to the test substance in a static test conducted by Hüls AG (1995) according to EU method C.2. Five concentrations ranging from 5.2 to 73 mg/L were tested over a period of 48 hours. The EC50 (48 hours) was determined as 27 mg/L. A second freshwater test with Daphnia magna was conducted by Bayer AG (2000) with an EC50 of 35 mg/L.
Another study was conducted with the marine crustacean Chaetogammarus
marinus (Adema 1982). The study was not well documented and was
characterised by some deficiencies (e.g. no standard protocol, no
analytical monitoring, etc.). The EC50 (96 hours) was determined as 4.0
mg/L.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 27 mg/L
Marine water invertebrates
Marine water invertebrates
- Effect concentration:
- 4 mg/L
Additional information
Among the two valid freshwater studies, the highest sensitivity was observed in the test which was conducted by Hüls AG (1995) and therefore this test was determined as key study. The test conducted with the marine crustacean Chaetogammarus marinus (Adema 1982) was also determined as key study, although its reliability is limited by some restrictions: no standard protocol, no standard organism, no analytical monitoring, use of a solubilizer.
In view of the low solubility in water (see chapter 4.9) and the liability towards hydrolysis (see chapter 5.1.2) of 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, exposure to well-defined aquatic concentrations is difficult to achieve. Due to fast hydrolysis, the observed effect is expected to be the effect of the hydrolysis product. In the aquatic environment, only the chemically less reactive hydrolysis product is expected to be relevant. The methods used for the determination of the test substance concentration (DOC or TOC) do not differentiate between parent substance and hydrolysis product. Hence the analytical results should be treated with caution.
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