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Diss Factsheets
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EC number: 252-512-0 | CAS number: 35325-02-1
- 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
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- Genarally accepted software tool
- Guideline:
- other: REACH guidance on QSARS R6,2008
- Guideline:
- other: Guidance on information requirements and chemical safety assessment chapter R7a.Endpoint specific guidance R7.1.2 melting/freezing point
- Principles of method if other than guideline:
- MPBPWIN v 1.43: Estimation based on the structure of the molecule. Adaptation of the adapted Joback method.
- GLP compliance:
- no
- Melting / freezing pt.:
- ca. 95 °C
- Atm. press.:
- ca. 1 atm
- Conclusions:
- The melting point of N-n-(2hydroxypropyl)benzene sulfonamide is 95 °C.
- Executive summary:
The melting point was calculated by the QSAR modelling tool EPI suite, v 4.10 edited by EPA. The model which was used is the MPBPWIN v 1.43 model. The estimate melting point of N-n-(2hydroxypropyl)benzene sulfonamide is 95°C.
Reference
Validity of model: 1. Defined endpoint: melting point
2. Unambigous algorithm: averages the adapted Joback and the Gold and Ogle estimates by reporting a suggested melting point based upon the two individual estimates and several criteria. If the difference between both estimated melting points is small (<30K) the suggested MP is the average. When there is larger difference, it decides which estimate is more likely to be accurate and "weights" the suggested MP accordingly. In this case the result obtained from the Joback method is used.
3. Applicability domain: There is no real applicability domain defined. But the applicability is expected to be better for chemicals with a molecular weight between 16,04 and 1238,19 (molecular weight range of training set) and to chemicals with no other functional groups or structural features than the chemicals in the training set.
4. Statistical characteristics: N = 10051 and the coefficient of determination is 0,63.
5. Mechanistic interpretation: related to stuctures/functional groups in the molecule affecting the melting point. Adequacy of the prediction: the substance Hp-BSA falls within the applicability domain described above (molecular weight = 346.47 and the substance does not contain any other functional groups than the molecules present in the test set) and, therefore, the predicted value can be considered reliable.
Description of key information
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 95 °C
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.