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EC number: 205-861-8 | CAS number: 156-62-7
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- Available experimental data for cyanamide are used in a read-across approach for the assessment of calcium cyanamide technical grade:
For detailled description where read across is used/recommended and where it is preferrable to refain from read across, please see section 13.2 "read across justification for environmental endpoints" and "Scientific rationale for not using cyanamide as read-across substance for calcium cyanamide on toxicological endpoints" - Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.19
- Temp.:
- 20 °C
- pH:
- ca. 6.8
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.72
- Temp.:
- 20 °C
- pH:
- ca. 6.8
- Type:
- log Pow
- Partition coefficient:
- ca. -0.81
- Temp.:
- 20 °C
- pH:
- ca. 7
- Remarks on result:
- other: QSAR prediction
- Details on results:
- The detector calibration for the UV analysis was found to be a curve over the range 1.0 to 25.7 mg/L of standard solutions hence a polynominal regression was applied.
The mean recoveries of Cyanamid F1000 from the method verification samples were as follows: Cyanamid F1000 in n-octanol and in water showed a recovery of 101 % and a RSD (n = 4) of 10.5 and 1.1 respectively. These results indicate that the analytical methods were accurate in the quantification of the test substance in both n-octanol and water.
Results of the test showed a measured Pow value of 0.2 (log Pow = 0.70). - Conclusions:
- The (mean) octanol/water partition coefficient of Cyanamid F1000 was found to be 0.19 ± 0.01 (mean log Pow = -0.72 ± 0.02) at 20°C.
Available experimental data for cyanamide are used in a read-across approach for the assessment of calcium cyanamide technical grade:
For detailled description where read across is used/recommended and where it is preferrable to refain from read across, please see section 13.2 "read across justification for environmental endpoints" and "Scientific rationale for not using cyanamide as read-across substance for calcium cyanamide on toxicological endpoints" - Executive summary:
The partition coefficient (octanol-water) of Cyanamid F1000 was determined using the shake flask method according to OECD guideline 107 and EU method A.8 at 20°C. The octanol-water partition coefficient, Pow, of Cyanamid F1000 was determined to be 0.19 ± 0.01 (log Pow = –0.72 ± 0.02) at 20 °C. QSAR prediction result in a log Pow of –0.81, which is in very good agreement with the experimental value.
This information is used in a read-across approach in the assessment of the target substance.
For detailled description where read across is used/recommended and where it is preferrable to refain from read across, please see section 13.2 "read across justification for environmental endpoints" and "Scientific rationale for not using cyanamide as read-across substance for calcium cyanamide on toxicological endpoints"
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-10-24 to 2017-10-25
- 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:
- 1. SOFTWARE
KOWWIN v1.68; integrated within the Estimation Programme Interface (EPI) Suite programme for Microsoft Windows v4.11;
2. MODEL (incl. version number)
KOWWIN v1.68
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
C(#N)N
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Explanations are derived from the on-line KOWWIN™ User's Guide (v1.68). KOWWIN uses a "fragment constant" methodology to predict log P. In a "fragment constant" method, a structure is divided into fragments (atom or larger functional groups) and coefficient values of each fragment or group are summed together to yield the log P estimate. KOWWIN’s methodology is known as an Atom/Fragment Contribution (AFC) method. Coefficients for individual fragments and groups were derived by multiple regression of 2447 reliably measured log P values. KOWWIN’s "reductionist" fragment constant methodology (i.e. derivation via multiple regression) differs from the "constructionist" fragment constant methodology of Hansch and Leo (1979) that is available in the CLOGP Program (Daylight, 1995). See the Meylan and Howard (1995) journal article for a more complete description of KOWWIN’s methodology.
5. APPLICABILITY DOMAIN
- All constituents fall within the Molecular Weight ranges domain.
- No substance has functional groups or features not in the training set of the model and/or for which no fragment constants and correction factors available
- No constituents contain multiple fragment instances than the maximum of the training set
6. ADEQUACY OF THE RESULT
- The QSAR model is scientifically valid.
- The substance falls within the applicability domain of the QSAR model
- The prediction is fit for regulatory purpose - Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on information requirements and chemical safety assessment, chapter R.6: QSARs and grouping of chemicals, May 2008.
- Principles of method if other than guideline:
- QSAR calculation using the fragment constant methodology
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.81
- Remarks on result:
- other: QSAR calculation
- Details on results:
- The estimated log Kow for Cyanamide is very low and suggests hydrophilic properties associated with a minor potential for adsorption and bioaccumulation.
- Conclusions:
- The estimated log Kow for Cyanamide of -0.81 is very low and suggests hydrophilic properties associated with a minor potential for adsorption and bioaccumulation.
The final result is considered adequate for a regulatory conclusion. - Executive summary:
The octanol-water partition coefficient of Cyanamide was estimated by QSAR calculation using EPISuite 4.1/KOWWIN v.1.68. The estimated log Pow of -0.81 is relatively low and suggests hydrophilic properties associated with a decreased potential for adsorption and bioaccumulation.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2004-12-13
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Justification for type of information:
- For detailled description where read across is used/recommended and where it is preferrable to refain from read across, please see section 13.2 "read across justification for environmental endpoints" and "Scientific rationale for not using cyanamide as read-across substance for calcium cyanamide on toxicological endpoints"
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.19
- Temp.:
- 20 °C
- pH:
- ca. 6.8
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.72
- Temp.:
- 20 °C
- pH:
- ca. 6.8
- Details on results:
- The detector calibration for the UV analysis was found to be a curve over the range 1.0 to 25.7 mg/L of standard solutions hence a polynominal regression was applied.
The mean recoveries of Cyanamid F1000 from the method verification samples were as follows: Cyanamid F1000 in n-octanol and in water showed a recovery of 101 % and a RSD (n = 4) of 10.5 and 1.1 respectively. These results indicate that the analytical methods were accurate in the quantification of the test substance in both n-octanol and water.
Results of the test showed a measured Pow value of 0.2 (log Pow = –0.70). - Conclusions:
- The (mean) octanol/water partition coefficient of Cyanamid F1000 was found to be 0.19 ± 0.01 (mean log10Pow = -0.72 ± 0.02) at 20°C.
- Executive summary:
The partition coefficient (octanol-water) of Cyanamid F1000 was determined using the shake flask method according to OECD guideline 107 and EU method A.8 at 20°C. The octanol/water partition coefficient, Pow, of Cyanamid F1000 was determined to be 0.19 ± 0.01 (log Pow = -0.72 ± 0.02) at 20°C.
Referenceopen allclose all
Determination of the partition coefficient of Cyanamid F1000 between n-octanol and water
Sample |
A |
B |
C |
D |
E |
F |
n-octanol volume (ml) |
15 |
15 |
20 |
20 |
10 |
10 |
Cyanamid F1000 in n-octanol (mg/l) |
33.45 |
32.07 |
57.12 |
59.59 |
19.26 |
24.75 |
Total Cyanamid F1000 in n-octanol (mg) |
502 |
481 |
1140 |
1190 |
193 |
248 |
Water volume (ml) |
15 |
15 |
10 |
10 |
20 |
20 |
Cyanamid F1000 in water (mg/l) |
179.7 |
175.8 |
311.1 |
301.6 |
94.88 |
95.61 |
Total Cyanamid F1000 in water (μg) |
2700 |
2640 |
3110 |
3020 |
1900 |
1910 |
Total Cyanamid F1000 added (μg) |
3440 |
3440 |
4580 |
4580 |
2290 |
2290 |
Total Cyanamid F1000 recovered (μg) |
3200 |
3120 |
4250 |
4210 |
2090 |
2160 |
pH of water phase after partition |
6.8 |
6.7 |
6.8 |
6.9 |
6.8 |
6.8 |
Pow |
0.186 |
0.182 |
0.184 |
0.198 |
0.203 |
0.259* |
Log10Pow |
-0.730 |
-0.739 |
-0.736 |
-0.704 |
-0.693 |
-0.587* |
* value not included in the mean calculations as it is considered to be outlier under the Dixon criterion, at the 5% significance level.
Mean Pow = 0.19
Standard deviation = 0.01
Mean log Pow = –0.72
Standard deviation = 0.02
Cyanamide
- is inside of the molecular weight range of the training set compounds (ca. 18–720 g/mol),
- does not have more instances of a given fragment than the maximum for all training set compounds.
- does not have additional functional group(s) or other structural features not represented in the training set, and for which no fragment coefficient was developed.
Therefore, Calcium cyanamide is considered to be in the applicability domain of the model.
Determination of the partition coefficient of Cyanamid F1000 between n-octanol and water
Sample |
A |
B |
C |
D |
E |
F |
n-octanol volume (ml) |
15 |
15 |
20 |
20 |
10 |
10 |
Cyanamid F1000 in n-octanol (mg/l) |
33.45 |
32.07 |
57.12 |
59.59 |
19.26 |
24.75 |
Total Cyanamid F1000 in n-octanol (mg) |
502 |
481 |
1140 |
1190 |
193 |
248 |
Water volume (ml) |
15 |
15 |
10 |
10 |
20 |
20 |
Cyanamid F1000 in water (mg/l) |
179.7 |
175.8 |
311.1 |
301.6 |
94.88 |
95.61 |
Total Cyanamid F1000 in water (μg) |
2700 |
2640 |
3110 |
3020 |
1900 |
1910 |
Total Cyanamid F1000 added (μg) |
3440 |
3440 |
4580 |
4580 |
2290 |
2290 |
Total Cyanamid F1000 recovered (μg) |
3200 |
3120 |
4250 |
4210 |
2090 |
2160 |
pH of water phase after partition |
6.8 |
6.7 |
6.8 |
6.9 |
6.8 |
6.8 |
Pow |
0.186 |
0.182 |
0.184 |
0.198 |
0.203 |
0.259* |
Log10Pow |
-0.730 |
-0.739 |
-0.736 |
-0.704 |
-0.693 |
-0.587* |
* value not included in the mean calculations as it is considered to be outlier under the Dixon criterion, at the 5% significance level.
Mean Pow= 0.19
Standard deviation = 0.01
Mean log10Pow= –0.72
Standard deviation = 0.02
Description of key information
The partition coefficient of calcium cyanamide technical grade is evaluated by means of data on its corresponding acid (cyanamide, CAS # 420-04-2) by read-across. Both measured data and a QSAR calculation are available for cyanamide. The QSAR-predicted partition coefficient is log Pow = –0.81, the measured result is log Pow = –0.72.
For the calcium cyanamide technical grade the value is expected to be even lower due to its ionic nature.
By weight-of-evidence, in view of the good agreement between theoretically estimated and experimentally determined values, the latter (log Pow = –0.72) is adopted as a worst-case figure (potentially highest bioaccumulation and/or adsorption probability).
Nevertheless, the worst-case figure for the partition coefficient indicates negligible bioaccumulation and adsorption potential of the substance.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.72
- at the temperature of:
- 20 °C
Additional information
Available experimental data for cyanamide are used in a read-across approach for the assessment of calcium cyanamide:
Upon dissolution in water calcium cyanamide is fast transformed to hydrogen cyanamide. Thus, upon release of calcium cyanamide to water the environmental distribution and exposure is driven by the physico-chemical/fate properties of hydrogen cyanamide.
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.