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EC number: 205-766-1 | CAS number: 150-68-5
- 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:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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:
- Since the substance itself was used also in the trainingsset of the QSAR tool, the prediction is in the applicability domain. Hence the QSAR tool is considered relevant and reliable for this substance.
- Principles of method if other than guideline:
- The established QSAR tool EPIwin v4.11 has been used.
- GLP compliance:
- no
- Type of method:
- other: QSAR calculation
- Analytical method:
- other: QSAR
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.03
- Remarks on result:
- other: QSAR result, not temperature and no pH reported.
- Conclusions:
- log Pow: 2.03
- Executive summary:
The log Pow for monuron as calculated with the EPIwin v4.11 QSAR tool resulted in 2.03.
Since the substance itself was used also in the trainingsset of the QSAR-tool, the substance is in the applicability domain.
Hence the result is considered relevant and reliable for the further assessment of the substance.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Principles of method if other than guideline:
- Data from QSAR-Tool EPIwin v4.11. No details were reported.
- GLP compliance:
- no
- Type of method:
- other: not reported
- Partition coefficient type:
- octanol-water
- Analytical method:
- not specified
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.94
- Remarks on result:
- other: Temperature and pH were not provided in the EPIwin data set.
- Conclusions:
- log Pow: 1.94
- Executive summary:
In the EPIwin QSAR tool-box v4.11 a literature reference is made to Hansch et al. (1995). The experimentally determined log Pow is reported to be 1.94.
This result is considered relevant and reliable since the data base for the EPIwin QSAR-tool has been peer reviewed.
- Endpoint:
- partition coefficient
- Type of information:
- not specified
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Principles of method if other than guideline:
- no information provided (information from data collection)
- GLP compliance:
- no
- Type of method:
- other: not specified since information from data collection
- Partition coefficient type:
- octanol-water
- Analytical method:
- not specified
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.94
- Remarks on result:
- other: Information on pH and temoerature were not provided
- Conclusions:
- log Kow 1.94
- Executive summary:
In the data collection of RIVM prepared by van Bellen (2000), the log Kow of monuron is reported to be 1.94. It is indicated that this information has been obtained from MacKay D and Shiu M 1997, Illustrated handbook of physical-chemical properties and environmental fate for organic chemicals Vol. 5 Boca Raton, Floriday: Lewis publishers. Further details were not provided.
Considering the lack of information on how the log Kow of 1.94 was obtained, this value is considered to be usable for weight of evidence and not as stand alone information.
Referenceopen allclose all
KOWWIN Program (v1.68) Results:
===============================
Log Kow(version 1.68 estimate): 2.03
Experimental Database Structure Match:
Name : MONURON
CAS Num : 000150-68-5
Exp Log P: 1.94
Exp Ref : HANSCH,C ET AL.(1995)
SMILES : O=C(N(C)C)Nc(ccc(c1)CL)c1
CHEM : Urea, N'-(4-chlorophenyl)-N,N-dimethyl-
MOL FOR: C9 H11 CL1 N2 O1
MOL WT : 198.65
-------+-----+--------------------------------------------+---------+--------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------------------------------+---------+--------
Frag | 2 | -CH3 [aliphatic carbon] | 0.5473 | 1.0946
Frag | 1 | -N< [aliphatic attach] |-1.8323 | -1.8323
Frag | 6 | Aromatic Carbon | 0.2940 | 1.7640
Frag | 1 | -CL [chlorine, aromatic attach] | 0.6445 | 0.6445
Frag | 1 | -N [aliphatic N, one aromatic attach] |-0.9170 | -0.9170
Frag | 1 | -NC(=O)N- [urea] | 1.0453 | 1.0453
Const | | Equation Constant | | 0.2290
-------+-----+--------------------------------------------+---------+--------
Log Kow = 2.0281
Description of key information
logPow: 1.94
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.94
- at the temperature of:
- 20 °C
Additional information
An experimentally derived logPow of 1.94 and a logPow of 2.03 as derived from the EPIwin QSAR tool v4.11are available for monuron.
Both data are similar. The experimentally determined result is considered more relevant in the EPIwin-QSAR tool for the water solubility, i.e.. the logPow of 1.94 was used for the calculation of the water solubility.
Since the difference between both logPow data is small and using the more conservative result of 2.03 would not result in another classification/PBT-assessment, we followed the EPIwin logic and used the experimentally derived value as most relevant information. This is supported by the weight of evidence information from van Bellen (2000).
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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