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EC number: 202-261-8 | CAS number: 93-60-7
- 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

Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- data is from experimental reports
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Principles of method if other than guideline:
- The water solubility determination of test item Methyl nicotinate (CAS No. 93-60-7) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101.
- GLP compliance:
- not specified
- Type of method:
- flask method
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Methyl nicotinate
- Molecular formula: C7H7NO2
- Molecular weight: 137.137 g/mol
- Smiles notation: c1(C(OC)=O)cccnc1
- InChI: 1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
- Substance type: Organic
- Physical state: Solid - Key result
- Water solubility:
- 2 295 832 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 29 °C
- Remarks on result:
- other: no other details mentioned
- Conclusions:
- The water solubility determination of test item Methyl nicotinate [CAS No.93-60-7] was done by spectrophotometric method. The water solubility of methyl nicotinate at 29°C. was determined to be 2295832 mg/L
- Executive summary:
The water solubility determination of test item Methyl nicotinate (CAS No. 93-60-7) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of Methyl nicotinate (93-60-7) in water was determined to be 2295832 mg/L at 29°C.
Reference
Sample Stirring time (hours) |
Concentration obtained on the basis of standard curve (mg/l) |
Dilution factor |
Solubility value obtained (mg/l) |
24 |
- |
- |
- |
48 |
16.4669 |
160000 |
2634704 |
72 |
12.2310 |
160000 |
1956960 |
Considering the water solubility for 48 hrs and 72 hrs the mean water solubility was calculated as follows:
Mean water solubility value for 48 hour run sample + 72 hour run sample
=(2634704+1956960)/2
=2295832 mg/L
Description of key information
The water solubility determination of test item Methyl nicotinate (CAS No. 93-60-7) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of Methyl nicotinate (93-60-7) in water was determined to be 2295832 mg/L at 29°C.
Key value for chemical safety assessment
- Water solubility:
- 2 295 832 mg/L
- at the temperature of:
- 29 °C
Additional information
The water solubility determination of test item Methyl nicotinate (CAS No. 93-60-7) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of Methyl nicotinate (93-60-7) in water was determined to be 2295832 mg/L at 29°C.
Data from handbooks and authoritative databases suggests that the experimental solubility of methyl nicotinate in water at 20 deg C was 47600 mg/l.
These values indicate that methyl nicotinate is highly soluble in water.
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