4-nitrotoluene

Adsorption / desorption

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

adsorption / desorption, other

Remarks:

adsorption

Type of information:

experimental study

Adequacy of study:

other information

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

Remarks:

Only basic data given

GLP compliance:

not specified

Media:

soil

Executive summary:

Weissmahr, 1999

Phyllosilicates of clay are strong and specific sorbents for aromatic nitro compounds. Sorption of 4-nitrotoluene to 2 homoionic kalium ion clays was determined:
1. Kaolinite
- Distribution coefficient Kd (l/kg dry matter) 1
2. Montmorillonite
- Distribution coefficient Kd (l/kg dry matter) 1.7
For 2- and 3-layer clays at varying equivalent fractions of exchangeable K⁺ and at various ionic strengths:
- Sorption was very low for homoionic Ca²⁺ or Na⁺-clays
- For Ca²⁺/K⁺- or Na⁺/K⁺ clays sorption increases with the degree of K⁺ saturation of the clay minerals (montmorillonite, smectit and kaolinite) with exchangeable kalium ions
- Sorption decreases with the concentration of the kalium ions in the solution around the clay minerals.
Some tests were done to desorb soil contaminats from clay by exchange of K⁺ with Ca²⁺, which succeeded in a remobilization of 4-nitrotoluene

Reference 2

Endpoint:

adsorption / desorption, other

Remarks:

adsorption

Type of information:

experimental study

Adequacy of study:

other information

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

Remarks:

Only basic data given

Principles of method if other than guideline:

Method: other: as described by Patterson (1996)

GLP compliance:

not specified

Media:

soil

Kd = 2.4 l/kg (relative to bromide); Kd = 1.4 l/kg (relative to 2-nitrotoluene)

Executive summary:

Toze, 1999

Kd = 2.4 l/kg (relative to bromide); Kd = 1.4 l/kg (relative to 2-nitrotoluene)

Reference 3

Endpoint:

adsorption / desorption, other

Remarks:

adsorption

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

other information

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

other: Accepted calculation method with limited documentation

Principles of method if other than guideline:

Method: other: (calculation) Kenaga & Goring 1978

GLP compliance:

not specified

Media:

soil

Koc = 494 (based on log Kow)
Koc = 175 (based on log S; S=water solubility)

Executive summary:

Lyman, 1990, calculation according to Kenaga & Goring 1978:

Koc = 494 (based on log Kow)
Koc = 175 (based on log S; S=water solubility)

Reference 4

Endpoint:

adsorption / desorption, other

Remarks:

adsorption

Type of information:

experimental study

Adequacy of study:

other information

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

Remarks:

only basic data given

Principles of method if other than guideline:

Method: other: see 'Any other information on materials and methods incl. tables'

GLP compliance:

not specified

Media:

soil

Sorption to three sediments of 4-nitrotoluene in the vicinity of a former ammunition site:
1. clay mineral containing medium-grained sand
- Effective grain size (mm) 0.143
- Organic content (g/kg dry matter) 0.5
- Clay content (g/kg dry matter) 7.1
- Distribution coefficient Kd (l/kg dry matter) 0.75
2. clay mineral containing fine sand
- Effective grain size (mm) 0.037
- Organic content (g/kg dry matter) 0.9
- Clay content (g/kg dry matter) 32
- Distribution coefficient Kd (l/kg dry matter) 3.1
3. clay mineral containing fine sand with coal particles
- Effective grain size (mm) 0.029
- Organic content (g/kg dry matter) 3.1
- Clay content (g/kg dry matter) 13
- Distribution coefficient Kd (l/kg dry matter) 3.9

Executive summary:

Hildenbrand, 1998

Sorption to three sediments of 4-nitrotoluene in the vicinity of a former ammunition site:
1. clay mineral containing medium-grained sand
- Effective grain size (mm) 0.143
- Organic content (g/kg dry matter) 0.5
- Clay content (g/kg dry matter) 7.1
- Distribution coefficient Kd (l/kg dry matter) 0.75
2. clay mineral containing fine sand
- Effective grain size (mm) 0.037
- Organic content (g/kg dry matter) 0.9
- Clay content (g/kg dry matter) 32
- Distribution coefficient Kd (l/kg dry matter) 3.1
3. clay mineral containing fine sand with coal particles
- Effective grain size (mm) 0.029
- Organic content (g/kg dry matter) 3.1
- Clay content (g/kg dry matter) 13
- Distribution coefficient Kd (l/kg dry matter) 3.9

Reference 5

Endpoint:

adsorption / desorption, other

Remarks:

adsorption

Type of information:

experimental study

Adequacy of study:

other information

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

Principles of method if other than guideline:

Method: other: see 'Any other information on materials and methods incl. tables'

GLP compliance:

not specified

Media:

soil

For the material used in the study the following results were obtained in single batch experiments for 4-nitrotoluene:
- Langmuir affinity constant K(L) = 0.0108 l/µmol
- Maximum sorbed-phase solute concentration 980 µmol/kg
Mobility was influenced by the presence of other test substances since they compeate for binding sites of the mineral (competitive sorption)

Executive summary:

Fesch, 1998

For the material used in the study the following results were obtained in single batch experiments for 4-nitrotoluene:
- Langmuir affinity constant K(L) = 0.0108 l/µmol
- Maximum sorbed-phase solute concentration 980 µmol/kg
Mobility was influenced by the presence of other test substances since they compeate for binding sites of the mineral (competitive sorption)

Reference 6

Endpoint:

adsorption / desorption, other

Type of information:

other: OECD SIDS

Adequacy of study:

other information

Reliability:

other: OECD SIDS

Rationale for reliability incl. deficiencies:

other: no reliability is given as this is a summary entry for the OECD SIDS

GLP compliance:

not specified

OECD SIDS (2003):

No test result on geoaccumulation is available. Binding to soil organic matter has been calculated with Koc = 309 (Bayer AG, 2002b). Thus it is supposed that 4-nitrotoluene would adsorb slightly to sewage sludge, suspended solids, and sediment in water. According to Litz (1990) 4-nitrotoluene can be regarded as a substance with medium geoaccumulation properties. Haderlein et al. (1996) report adsorption constants of 5 - 45 l/kg of 4-nitrotoluene on three monoionic K+ clay minerals indicating a low adsorption by clays.

Executive summary:

OECD SIDS (2003):

No test result on geoaccumulation is available. Binding to soil organic matter has been calculated with Koc = 309 (Bayer AG, 2002b). Thus it is supposed that 4-nitrotoluene would adsorb slightly to sewage sludge, suspended solids, and sediment in water. According to Litz (1990) 4-nitrotoluene can be regarded as a substance with medium geoaccumulation properties. Haderlein et al. (1996) report adsorption constants of 5 - 45 l/kg of 4-nitrotoluene on three monoionic K+ clay minerals indicating a low adsorption by clays.

Description of key information

For transported isolated intermediates according to REACh, Article 18, this endpoint is not a data requirement. However, data is available for this endpoint and is thus reported under the guidance of "all available data".

OECD SIDS (2003):

No test result on geoaccumulation is available. Binding to soil organic matter has been calculated with Koc = 309 (Bayer AG, 2002b). Thus it is supposed that 4-nitrotoluene would adsorb slightly to sewage sludge, suspended solids, and sediment in water. According to Litz (1990) 4-nitrotoluene can be regarded as a substance with medium geoaccumulation properties. Haderlein et al. (1996) report adsorption constants of 5 - 45 l/kg of 4-nitrotoluene on three monoionic K+ clay minerals indicating a low adsorption by clays.

Fesch, 1998:

For the material used in the study the following results were obtained in single batch experiments for 4-nitrotoluene:
- Langmuir affinity constant K(L) = 0.0108 l/µmol
- Maximum sorbed-phase solute concentration 980 µmol/kg
Mobility was influenced by the presence of other test substances since they compeate for binding sites of the mineral (competitive sorption)

Hildenbrand, 1998:

Sorption to three sediments of 4-nitrotoluene in the vicinity of a former ammunition site:
1. clay mineral containing medium-grained sand
- Effective grain size (mm) 0.143
- Organic content (g/kg dry matter) 0.5
- Clay content (g/kg dry matter) 7.1
- Distribution coefficient Kd (l/kg dry matter) 0.75
2. clay mineral containing fine sand
- Effective grain size (mm) 0.037
- Organic content (g/kg dry matter) 0.9
- Clay content (g/kg dry matter) 32
- Distribution coefficient Kd (l/kg dry matter) 3.1
3. clay mineral containing fine sand with coal particles
- Effective grain size (mm) 0.029
- Organic content (g/kg dry matter) 3.1
- Clay content (g/kg dry matter) 13
- Distribution coefficient Kd (l/kg dry matter) 3.9

Lyman, 1990, calculation according to Kenaga & Goring 1978:

Koc = 494 (based on log Kow)
Koc = 175 (based on log S; S=water solubility)

Toze, 1999

Kd = 2.4 l/kg (relative to bromide); Kd = 1.4 l/kg (relative to 2-nitrotoluene)

Weissmahr, 1999

Phyllosilicates of clay are strong and specific sorbents for aromatic nitro compounds. Sorption of 4-nitrotoluene to 2 homoionic kalium ion clays was determined:
1. Kaolinite
- Distribution coefficient Kd (l/kg dry matter) 1
2. Montmorillonite
- Distribution coefficient Kd (l/kg dry matter) 1.7
For 2- and 3-layer clays at varying equivalent fractions of exchangeable K⁺ and at various ionic strengths:
- Sorption was very low for homoionic Ca²⁺ or Na⁺-clays
- For Ca²⁺/K⁺- or Na⁺/K⁺ clays sorption increases with the degree of K⁺ saturation of the clay minerals (montmorillonite, smectit and kaolinite) with exchangeable kalium ions
- Sorption decreases with the concentration of the kalium ions in the solution around the clay minerals.
Some tests were done to desorb soil contaminats from clay by exchange of K⁺ with Ca²⁺, which succeeded in a remobilization of 4-nitrotoluene