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Diss Factsheets
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EC number: 204-465-2 | CAS number: 121-33-5
- 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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_environmental-fate-and-pathways.png)
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Remarks:
- adsorption
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study not well documented but meets the general OECD Guideline 106 requirements.
- GLP compliance:
- not specified
- Type of method:
- batch equilibrium method
- Media:
- other: water - soil
- Test temperature:
- 25 +/-0.5°C
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling interval: at 12 and 24hr of incubation
- Details on matrix:
- COLLECTION AND STORAGE
- Geographic location: soil sampled from east area in the country of the authors
- Collection procedures: no data
- Sampling depth (cm): no data
- Storage conditions: in the laboratory in a dry place at ambient temperature
- Storage length: no data
- Soil preparation (e.g.: 2 mm sieved; air dried etc.): air-dried, grounded to pas 60 mesh sievd
PROPERTIES: data only available:
- pH: 6.35
- Organic carbon (%): 1.85% determined by the walkley-Blank method - Details on test conditions:
- Tested chemicals are prepared in 0.01M CaCl2 solution. One g soil is weighed into 10-ml glass centrifuged tubes, 10 ml solution are added,
and the tubes are sealed. After shaking for 12H, the tubes are centrifuged at 6000 rpm for 20 min.
Soil-free tubes containing only the initial solutions are used as blank references to check for sorption onto glass or caps.
There is no change in solution concentration between a 12- and 24-Hr equilibration.
The equilibrium concentrations for samples in the water phase are determined by UV/visible spectrophotometry.
The soil values are calculated by difference.
All measurement are carried out in duplicate.
There are 7-9 points in each isotherm. - Computational methods:
- The sorption isotherms for all samples are analysed using the Freundlich model (eq 1). The Freundlich isotherm parameters (Kf and n) are
determined by the commonly applied method of a linear regression (eq 2) of the log-transformed data. This is justified because the relative error in measurement is not greatly dependant on concentration. Thus standard linear regression techniques are appropriate for the transformed data and
no weighting of the regression is required.
Eq 1: Cs = KfCeE+n,
Eq 2: LnCs = LnKf + nLnCe
where Cs is the solid-phase equilibrium concentration (µg/g) of solute, Ce is the solution-phase equilibrium concentration (µg/ml), Kf is a
freundlich affinity parameter for a hetero-disperse system, and n is related to the magnitude of the adsorption driving force and to the energy
distribution of the adsorption sites. - Adsorption and desorption constants:
- LnKf has been determined to be 1.962 for vanillin, with n = 0.794, indicating a nonlinear isotherm where the marginal adsorption energy decreases
with increasing surface concentration. - Recovery of test material:
- No data
- Concentration of test substance at end of adsorption equilibration period:
- No data
- Concentration of test substance at end of desorption equilibration period:
- Not applicable
- Transformation products:
- not specified
- Statistics:
- Regression analysis are performed using STATGRAPHICS program with a confidence limit of 95%
- Conclusions:
- LogKf has been determined to be 1.962 for vanillin in natural soil from China, with n = 0.794, indicating a nonlinear isotherm where the marginal
adsorption energy decreases with increasing surface concentration.
From this result, a LogKoc can be calculated:3.69 (Kf=Kd; Koc=Kd*100/1.85) - Executive summary:
Sorption of Vanillin on natural soil from China (pH=6.35; OC=1.85%) has been determined by batch equilibrium method (following OECD guideline). LogKf has been determined to be 1.962, with n = 0.794, indicating a nonlinear adsorption isotherm where the marginal adsorption energy decreases with increasing surface concentration. From this result, a LogKoc can be calculated:3.69 (Kf=Kd; Koc=Kd*100/1.85)
- Endpoint:
- adsorption / desorption, other
- Remarks:
- adsorption
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study not well documented but meets the general OECD Guideline 106 requirements
- Guideline:
- other: no data
- GLP compliance:
- not specified
- Type of method:
- batch equilibrium method
- Media:
- other: water - sediment
- Test temperature:
- 25 +/- 0.5°C
- Analytical monitoring:
- yes
- Details on sampling:
- no data
- Details on matrix:
- DETAILS ON SEDIMENT: only these informations are available:
- Details on collection (e.g. location, depth, contamination history, procedure: Sediment taken from Yangtze River near
Nanjing City (N: 32deg13'13.5'', E: 118deg50'44.3'')
- Storage conditions: Stored in the laboratory in a dry place at ambient temperature
- Textural classification (i.e. %sand/silt/clay): no data
- pH at time of collection: 6.75
- Organic carbon (%): 1.57 determined by Walkley-Blank method
- Electrical conductivity:no data
- Redox potential (mv) initial/final:no data
- Bulk density (g/cm³):no data
- Biomass (e.g. in mg microbial C/100 mg, CFU or other):no data
- Sediment preparation: sediment air-dried and 0.177 mm sieved - Details on test conditions:
- TEST SYSTEM
- Type, size and further details on reaction vessel: No details.
- Amount of sediment and water per treatment: No details
- Concentrations of the tested chemicals (including vanillin): 10-100 µg/ml
- Temperature: 25+/- 0.5°C
Sediment free tubes containing only the initial solutions were used as blank reference to check for sorption onto glass or caps
There were 7-9 points in each isotherm.
The equilibrium concentrations for samples in the water phase were determined by UV/visible spectrophotometry; the sediment values were
calculated by the difference.
All measurement was carried out in duplicate.
No other data available - Computational methods:
- COMPUTATIONAL METHODS:
- Freundlich adsorption and desorption coefficients: 7.11
- Slope of Freundlich adsorption/desorption isotherms: No data
- Regression coefficient of Freundlich equation: No data
- Other: Each isotherm was modelled with 7-9 points.
The sorption isotherms were analysed using Freundlich equation Cs = KfCeE+N, where Cs was the amount of benzaldehyde sorbed (µmol/kg)
and Ce is the solution concentration (µmol/L). Kf and N are empirical constants, where Kf is the Freundlich coefficient (L/kg) and the exponent N is a dimensionless parameter commonly less that unity.
Non linear regression techniques used to derive Kf and N minimized the weighted residual sum of square.
Consequently, the sorption partition coefficient Kf is normalized for organic carbon to yield an organic-carbon-partition, Koc. - Type:
- log Koc
- Value:
- 3.438
- Adsorption and desorption constants:
- The value calculated using Freundlich isotherm is LogKoc=3.438
- Recovery of test material:
- No data
- Concentration of test substance at end of adsorption equilibration period:
- No data
- Concentration of test substance at end of desorption equilibration period:
- No data
- Transformation products:
- not specified
- Conclusions:
- Log Koc of vanillin has been determined by batch method based on the OECD guideline to be 3.438
- Executive summary:
Log Koc of vanillin has been determined by batch method based on the OECD guideline to be 3.438
- Endpoint:
- adsorption / desorption, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Calculation from equation dicussed in the EU TGD.
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- QSAR calculation according to equation from Sabljic and Güsten (1995), as reported in the EU TGD (2003), concerning non hydrophobic chemicals:
logKoc = 0.52 logKow + 1.02, with LogKow=1.2 - Type:
- Koc
- Value:
- 44
- Type:
- log Koc
- Value:
- 1.64
Referenceopen allclose all
Description of key information
Key value for chemical safety assessment
- Koc at 20 °C:
- 4 898
Additional information
Two publications from Jin et al. (1997) and Dai et al. (2000), quoted in reliability 2 (since conducted following OECD 106) reported a log Koc of 3.69
(calculated from Kf) in natural soil from China (pH=6.35, OC=1.85%) and a log Koc=3.438 in natural sediment from China (pH=6.75, OC=1.57%).
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.
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