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Environmental fate & pathways

Biodegradation in soil

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Reference
Endpoint:
biodegradation in soil: simulation testing
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from computational model developed by USEPA
Qualifier:
according to
Guideline:
other: Modeling database
Principles of method if other than guideline:
Fugacity Model level III by EPI Suite v 4.1 estimation database
GLP compliance:
not specified
Test type:
other: estimation
Specific details on test material used for the study:
- Name of test material (as cited in study report): Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt
- Molecular formula (if other than submission substance): C27H26N2O7S2.Na
- Molecular weight (if other than submission substance): 576.623 g/mol
- Smiles notation (if other than submission substance): 1S/C27H26N2O7S2.Na/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36;/h5-16H,1-4H3,(H2,31,32,33,34,35,36);/q;+1/p-1
-InChI: c12c(\C(c3ccc(N(C)C)cc3)=C3/C=C\C(=[N+](/C)C)C=C3)c(O)c(S(=O)(=O)[O-])cc1cc(S(=O)(=O)[O-])cc2.[Na+]
- Substance type: Organic

Radiolabelling:
not specified
Oxygen conditions:
other: estimated
Soil classification:
not specified
Parameter followed for biodegradation estimation:
test mat. analysis
Soil No.:
#1
% Recovery:
29.9
Remarks on result:
other: Other details not known
Key result
Soil No.:
#1
% Degr.:
50
Parameter:
other: Half-life
Sampling time:
120 d
Remarks on result:
other: Other details not known
Key result
Soil No.:
#1
DT50:
120 d
Type:
other: estimated data
Temp.:
25 °C
Remarks on result:
other: Other details not known
Transformation products:
not specified
Evaporation of parent compound:
not specified
Volatile metabolites:
not specified
Residues:
not specified

Mass Amount (Percent)

Half-life (hr)

Emission (kg/hr)

Soil

29.9

2.88e+003

1000

 

Fugacity(atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Soil

1.22e-040

1.01e+003

0

33.5

0

Conclusions:
Biodegradation half-life of Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt in soil was estimated to be 120 days (2880 hrs).
Executive summary:

The half-life period of Hydrogen [4 -[4 -(dimethylamino)-α-(2 -hydroxy-3,6 -disulphonato-1 -naphthyl)benzylidene]cyclohexa-2,5 -dien-1 -ylidene]dimethylammonium, monosodium salt (CAS No. 3087 -16 -9) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 29.9% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Hydrogen [4 -[4 -(dimethylamino)-α-(2 -hydroxy-3,6 -disulphonato-1 -naphthyl)benzylidene]cyclohexa-2,5 -dien-1 -ylidene]dimethylammonium, monosodium salt in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of Hydrogen [4 -[4 -(dimethylamino)-α-(2 -hydroxy-3,6 -disulphonato-1 -naphthyl)benzylidene]cyclohexa-2,5 -dien-1 -ylidene]dimethylammonium, monosodium salt, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Description of key information

The half-life period of Hydrogen [4 -[4 -(dimethylamino)-α-(2 -hydroxy-3,6 -disulphonato-1 -naphthyl)benzylidene]cyclohexa-2,5 -dien-1 -ylidene]dimethylammonium, monosodium salt (CAS No. 3087 -16 -9) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 29.9% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Hydrogen [4 -[4 -(dimethylamino)-α-(2 -hydroxy-3,6 -disulphonato-1 -naphthyl)benzylidene]cyclohexa-2,5 -dien-1 -ylidene]dimethylammonium, monosodium salt in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of Hydrogen [4 -[4 -(dimethylamino)-α-(2 -hydroxy-3,6 -disulphonato-1 -naphthyl)benzylidene]cyclohexa-2,5 -dien-1 -ylidene]dimethylammonium, monosodium salt, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Key value for chemical safety assessment

Half-life in soil:
120 d
at the temperature of:
25 °C

Additional information

The half-life period of Hydrogen [4 -[4 -(dimethylamino)-α-(2 -hydroxy-3,6 -disulphonato-1 -naphthyl)benzylidene]cyclohexa-2,5 -dien-1 -ylidene]dimethylammonium, monosodium salt (CAS No. 3087 -16 -9) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 29.9% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Hydrogen [4 -[4 -(dimethylamino)-α-(2 -hydroxy-3,6 -disulphonato-1 -naphthyl)benzylidene]cyclohexa-2,5 -dien-1 -ylidene]dimethylammonium, monosodium salt in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of Hydrogen [4 -[4 -(dimethylamino)-α-(2 -hydroxy-3,6 -disulphonato-1 -naphthyl)benzylidene]cyclohexa-2,5 -dien-1 -ylidene]dimethylammonium, monosodium salt, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.