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Biodegradation in water: screening tests

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Reference
Endpoint:
biodegradation in water: screening tests
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
The supporting QMRF report has been attached.
Qualifier:
according to guideline
Guideline:
OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
Principles of method if other than guideline:
The prediction was done by using OECD QSAR tool box v3.3
GLP compliance:
not specified
Specific details on test material used for the study:
Name: Resin acids and Rosin acids, ammonium salts
SMILES:HN(H)(H)OC(=O)C1C(C(O)=O)C2CC3C1(CCC1C3(C)CCCC1(C)C(O)=O)C=C2C(C)C
Oxygen conditions:
aerobic
Inoculum or test system:
other: Microorganisms
Duration of test (contact time):
28 d
Parameter followed for biodegradation estimation:
other: BOD
Key result
Parameter:
other: % degradation BOD
Value:
72
Sampling time:
28 d
Remarks on result:
other: other details not available
Details on results:
The test chemical Resin acids and Rosin acids, ammonium salts undergoes 72 % biodegradation by considering BOD as parameter in 28 days.

The prediction was based on dataset comprised from the following descriptors: BOD
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

(((((("a" or "b" or "c" or "d" )  and "e" )  and "f" )  and "g" )  and "h" )  and ("i" and "j" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Alkane, branched with tertiary carbon OR Bridged-ring carbocycles OR Carbocyclic spiro rings OR Carboxylic acid OR Cycloalkane OR Cycloalkene OR Fused saturated carbocycles OR Isopropyl OR O-Alkyl hydroxylamine by Organic Functional groups ONLY

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Alkane, branched with tertiary carbon OR Bridged-ring carbocycles OR Carbocyclic spiro rings OR Carboxylic acid OR Cycloalkane OR Fused saturated carbocycles OR Isopropyl OR O-Alkyl hydroxylamine OR Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Acid, aliphatic attach [-COOH] OR Alcohol, olefinic attach [-OH] OR Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Amino acid, non-alpha carbon type  OR Amino acid, olefine non-alpha type OR Carbonyl, aliphatic attach [-C(=O)-] OR Fused Aliphatic ring unit  OR Miscellaneous sulfide (=S) or oxide (=O) OR Nitrogen, hydrogen attach {v+5} OR Olefinic carbon [=CH- or =C<] OR Oxygen or Sulfur, nitrogen attach [-O- or -S-] OR Oxygen, nitrogen attach [-O-] OR Tertiary Carbon by Organic functional groups (US EPA) ONLY

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Carbonic acid derivative OR Carboxylic acid OR Carboxylic acid derivative by Organic functional groups, Norbert Haider (checkmol) ONLY

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Not calculated by Biodeg BioHC half-life (Biowin) ONLY

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as days - weeks by Biodeg primary (Biowin 4) ONLY

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Does NOT Biodegrade Fast by Biodeg probability (Biowin 2) ONLY

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Does NOT Biodegrade Fast by Biodeg probability (Biowin 5) ONLY

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of Molecular weight which is >= 236 Da

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of Molecular weight which is <= 592 Da

Validity criteria fulfilled:
not specified
Interpretation of results:
readily biodegradable
Conclusions:
The test chemical Resin acids and Rosin acids, ammonium salts undergoes 72% biodegradation by considering BOD as parameter and microorgansms as inoculum in 28 days.
Executive summary:

Biodegradability of test chemical Resin acids and Rosin acids, ammonium salts (CAS no. 68649-89-8) is predicted using OECD QSAR tool box v3.3 using log Kow as primary descriptor. The test chemical Resin acids and Rosin acids, ammonium salts undergoes 72% biodegradation by considering BOD as parameter and microorganisms as inoculum in 28 days. Therefore it is concluded that test chemical Resin acids and Rosin acids, ammonium salts is readily biodegradable.

Description of key information

Biodegradability of test chemical Resin acids and Rosin acids, ammonium salts (CAS no. 68649-89-8) is predicted using OECD QSAR tool box v3.3 using log Kow as primary descriptor. The test chemical Resin acids and Rosin acids, ammonium salts undergoes 72 % biodegradation by considering BOD as parameter and microorganisms as inoculum in 28 days. Therefore it is concluded that test chemical Resin acids and Rosin acids, ammonium salts is readily biodegradable.

Key value for chemical safety assessment

Biodegradation in water:
readily biodegradable

Additional information

Predicted data for target compound Resin acids and Rosin acids, ammonium salts (CAS no. 68649-89-8) and supporting weight of evidence studies for its closest read across chemicals with log Kow as a primary descriptor were reviewed for the biodegradation endpoint which are summarized as below.

Biodegradability of test chemical Resin acids and Rosin acids, ammonium salts (CAS no. 68649-89-8) is predicted using OECD QSAR tool box v3.3 using log Kow as primary descriptor. The test chemical Resin acids and Rosin acids, ammonium salts undergoes 72 % biodegradation by considering BOD as parameter and microorganisms as inoculum in 28 days. Therefore it is concluded that test chemical Resin acids and Rosin acids, ammonium salts is readily biodegradable.

In a supporting weight of evidence study from authoritative database (J Check, 2017) for read across chemical 2-Ethylhexanoate; lead (2+) (CAS no. 301-08-6) biodegradation experiment was performed by taking activated sludge as inoculums at 30 mg/L concentration. Biodegradation was analysed by using BOD parameter. The initial concentration of read across chemical taken was 100 mg/L. The read across chemical 2-Ethylhexanoate; lead (2+) showed 98% biodegradation by BOD parameter in 28 days. Based on percent biodegradability it is concluded that read across chemical 2-Ethylhexanoate; lead (2+) is readily biodegradable.

In another supporting weight of evidence study from same source as mentioned above (J check, 2017) for read across chemical 2-Propanol, titanium (4+) salt (CAS no. 546-68-9) biodegradation test was carried out by taking sludge as inoculums at 30 mg/L concentration. Biodegradation was analysed by using BOD and TOC parameters. The initial concentration of read across chemical was 100 mg/L.The read across chemical 2-Propanol, titanium (4+) salt showed 87 % biodegradation by BOD parameter and 97 % biodegradation by TOC parameter in 28 days. Based on percent biodegradability it is concluded that read across chemical 2-Propanol, titanium(4+) salt is readily biodegradable.

On the basis of above results for target chemical Resin acids and Rosin acids, ammonium salts (CAS no. 68649-89-8)) from ( OECD QSAR tool box v3.3, 2017) and for its read across substances (from authoritative database) the target chemical Resin acids and Rosin acids, ammonium salts can be expected to be readily biodegradable.