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EC number: 600-028-9 | CAS number: 1001254-87-0
- 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- calculated 2013-01-15
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: accepted calculation method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- PCKowWin Version 1.66 as integrated in EpiWin Version 3.20 (first-order molecular connectivity index (1-MCI) method), Syracuse Research Center / U.S. EPA
- Type of method:
- other: QSAR calculation
- Media:
- soil
- Computational methods:
- PCKowWin Version 1.66 as integrated in EpiWin Version 3.20 (first-order molecular connectivity index (1-MCI) method), Syracuse Research Center / U.S. EPA
- Type:
- log Koc
- Value:
- 9.336
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- With a calculated log Koc of 9.336 l/kg, the sorption potential of Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, homopolymer, acetone oxime-blocked (surrogate: blocked trimer) to soil or sediment organic matter is expected to be very high (Blume scale).
- Executive summary:
With a calculated log Koc of 9.336 l/kg, the sorption potential of Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, homopolymer, acetone oxime-blocked (surrogate: blocked trimer) to soil or sediment organic matter is expected to be very high (Blume scale).
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2012-06-20
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study with acceptable restrictions: result partially outside the range of applicability specified in the guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Version / remarks:
- (2001)
- Deviations:
- yes
- Remarks:
- (result partially outside the range of applicability specified in the guideline)
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- Version / remarks:
- (2008)
- Deviations:
- yes
- Remarks:
- (result partially outside the range of applicability specified in the guideline)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Radiolabelling:
- no
- Test temperature:
- mean 21.6 °C (range 21.5 - 21.9 °C); recorded by a data logger (measuring interval 2 minutes)
- Details on study design: HPLC method:
- Apparatus: HPLC AGILENT 1100
Column: YMC-Pack Cyano, batch: 8330, serial no. 110930 20031, 250 x 4.0 mm, YMC EUROPE GMBH
Mobile phase: Acetonitrile / HPLC water (60:40) (v/v)
Detection: UV using DAD detector
Injection volume: 100 µL
Flow rate: 1 mL/minute
Test concentration: Approx. 60 mg/l
Dead time determination: sodium nitrate (NaNO3), 10.0 mg/l
Reference substances (with log Koc); all 5 mg/l in separate solutions:
- Acetanilide (soil: 1.26; sewage sludge: 1.52)
- Atrazine (sewage sludge: 1.66)
- Monuron (soil: 1.99)
- 2,5-Dichloroaniline (soil: 2.55; sewage sludge: 2.45)
- Benzoic acid phenyl ester (soil: 2.87; sewage sludge: 3.26)
- Fenthion (sewage sludge: 3.75)
- Phenanthrene (soil: 4.09: sewage sludge: 4.35)
- DDT (soil: 5.63)
Replicates: Single x three injections
Three injections of NaNO3 at the beginning of the sample set
Two injections of each reference substance (one before and one after the analysis of the test item) - Type:
- Koc
- Remarks:
- (soil)
- Value:
- 25 953 dimensionless
- Temp.:
- 21.6 °C
- Remarks on result:
- other: main component
- Type:
- Koc
- Remarks:
- (soil)
- Value:
- 4 275 613 dimensionless
- Temp.:
- 21.6 °C
- Remarks on result:
- other: higher homologue
- Type:
- log Koc
- Remarks:
- (soil)
- Value:
- 4.414 dimensionless
- Temp.:
- 21.6 °C
- Remarks on result:
- other: main component
- Type:
- log Koc
- Remarks:
- (soil)
- Value:
- 6.631 dimensionless
- Temp.:
- 21.6 °C
- Remarks on result:
- other: higher homologue
- Type:
- Koc
- Remarks:
- (sewage sludge)
- Value:
- 33 874 dimensionless
- Temp.:
- 21.6 °C
- Remarks on result:
- other: main component
- Type:
- Koc
- Remarks:
- (sewage sludge)
- Value:
- 6 828 826 dimensionless
- Temp.:
- 21.6 °C
- Remarks on result:
- other: higher homologue
- Type:
- log Koc
- Remarks:
- (sewage sludge)
- Value:
- 4.53 dimensionless
- Temp.:
- 21.6 °C
- Remarks on result:
- other: main component
- Type:
- log Koc
- Remarks:
- (sewage sludge)
- Value:
- 6.834 dimensionless
- Temp.:
- 21.6 °C
- Remarks on result:
- other: higher homologue
- Details on results (HPLC method):
- Dead time: 1.446 ± 0.004
Acetanilide: 3.026 / 3.034 min, k' = 1.095
Atrazine: 3.309 / 3.331 min, k' = 1.296
Monuron: 3.269 / 3.285 min, k' = 1.266
2,5-Dichloroaniline: 3.769 / 3.795 min; k' 1.615
Benzoic acid phenyl ester: 4.025 / 4.057 min; k' = 1.795
Fenthion: 4.385 / 4.419 min; k' = 2.044
Phenanthrene: 4.500 / 4.540 min; k' = 2.126
4,4’-DDT: 6.028 / 6.065 min; k' = 3.182
log Koc (soil) = 9.37 log k' + 0.824 (r2 = 0.979)
log Koc (sewage sludge) = 9.74 log k' + 0.798 (r2 = 0.932)
test substance peak 1: 4.924 / 4.941 / 4.949 min; k' = 2.405 / 2.417 / 2.423
test substance peak 2: 7.432 / 7.472 / 7.492 min; k' = 4.140 / 4.167 / 4.181 - Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient (Koc) of Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, homopolymer, acetone oxime-blocked on soil and on sewage sludge was determined in a GLP study with the HPLC method according to OECD TG 121 (2001) and EC method C. 19 (2008). Two peaks were observed corresponding to
- the blocked trimer: log Koc = 4.414 (soil), 4.530 (sewage sludge)
- and a higher homologue (blocked pentamer): log Koc = 6.631 (soil), 6.834 (sewage sludge)
Both is "very high" adsorption potential (Koc > 10000) on the Blume scale. - Executive summary:
The adsorption coefficient (Koc) of Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, homopolymer, acetone oxime-blocked on soil and on sewage sludge was determined in a GLP study with the HPLC method according to OECD TG 121 (2001) and EC method C. 19 (2008). Two peaks were observed corresponding to
- the blocked trimer: log Koc = 4.414 (soil), 4.530 (sewage sludge)
- and a higher homologue (blocked pentamer): log Koc = 6.631 (soil), 6.834 (sewage sludge)
Both is "very high" adsorption potential (Koc > 10000) on the Blume scale.
Referenceopen allclose all
"very high" adsorption potential (Blume scale)
Description of key information
The adsorption coefficient (Koc) of Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-, homopolymer, acetone oxime-blocked on soil and on sewage sludge was determined in a GLP study with the HPLC method according to OECD TG 121 (2001) and EC method C. 19 (2008). Two peaks were observed corresponding to
- the blocked trimer: log Koc = 4.414 (soil), 4.530 (sewage sludge)
- and a higher homologue (blocked pentamer): log Koc = 6.631 (soil), 6.834 (sewage sludge)
Both is "very high" adsorption potential (Koc > 10000) on the Blume scale.
Key value for chemical safety assessment
- Koc at 20 °C:
- 25 953
Additional information
[LogKoc: 4.414]
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