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EC number: 915-589-8 | CAS number: -
- 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

Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- other: Constituent
- Remarks:
- Monoisopropyl biphenyl isomer mixture (MIPB; CAS-No.: 25640-78-2) represents one constituent of the registered UVCB (Alkylation and transalkylation products of biphenyl with propene)
- Adequacy of study:
- weight of evidence
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 310 (Ready Biodegradability - CO2 in Sealed Vessels (Headspace Test)
- Deviations:
- yes
- Remarks:
- including chemical analysis and CO2-determination
- GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
PHYSICO-CHEMICAL PROPERTIES
- Melting point: -15 °C
- Boiling point: > 294 - < 304 °C
- Vapour pressure: <0.01 hPa
- Henry's law constant (for volatie substances):
- Water solubility (under test conditions): approx. 0.5 mg/L
- log Pow: 5.2 - 5.5
- pKa: n.a.
- pH dependance on stability: n.a.
OTHER PROPERTIES (if relevant for this endpoint)
- Adsorption characteristics:
- Toxicity to microorganisms: none - Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, non-adapted
- Details on inoculum:
- - Source of inoculum/activated sludge: Municipal sewage treatment plant, Hildesheim, Germany: Activated sludge from the sewage plant at Hildesheim is well suited, as it receives predominantly municipal sewage and hardly any industrial chemical waste.
- Laboratory culture: The activated sludge was washed twice with chlorine free tap water. After the second washing the settled sludge was
re-suspended in mineral salts medium and was maintained in an aerobic condition by aeration for 2 hours. Thereafter the sludge was
homogenised with a blender. The supernatant was decanted and was maintained in an aerobic condition by aeration with CO2-free air for 6 days.
10 mL/L were used to initiate inoculation.
- Duration of test (contact time):
- 43 d
- Initial conc.:
- 19.65 mg/L
- Based on:
- test mat.
- Initial conc.:
- 17.7 mg/L
- Based on:
- other: carbon content
- Parameter followed for biodegradation estimation:
- test mat. analysis
- Parameter followed for biodegradation estimation:
- CO2 evolution
- Details on study design:
- TEST CONDITIONS
- Composition of medium: Mineral salts medium according to OECD 310
- Additional substrate: no
- Solubilising agent (type and concentration if used): no
- Test temperature: 20 +-1 °C
- pH adjusted: no
- Aeration of dilution water: yes
- Suspended solids concentration: no data, instead: colony-forming units (CFU)/volume, which were approx. 3 *10^-3/mL
- Continuous darkness: no, low light condition
TEST SYSTEM
- Culturing apparatus: Headspace flask 120 mL total volume, 80 mL test medium (headspace-to-liquid ratio: 1:2)
- Number of culture flasks/concentration: 3, at test end: 5
- Addition of the test substance: 100 µL of the acetone stock solution were pipetted into the test vessel. Afterwards the test vessel
was left open for 2 h to allow evaporation of the acetone. After the acetone had been completely evaporated, 80 mL test medium
(mineral salts medium and inoculum) were given into the test vessel.
- Method used to create aerobic conditions: aeration of the test medium in the absence of the test substance.
- Measuring equipment: Carbon analyser
- Test performed in closed vessels due to significant volatility of test substance: yes
- Test performed in open system: no
- Details of trap for CO2 and volatile organics if used: no - CO2 was fixed in the test medium by addition of excess NaOH
prior to opening the test vessel.
SAMPLING
- Sampling frequency: variable, in total 10 sampling times
- Sampling method: total content of a test flask
CONTROL AND BLANK SYSTEM
- Inoculum blank: Mineral salts medium + inoculum; triplicates (test end 5 replicates)
- Solvent control: 100 µL acetone + mineral salts medium + inoculum; single
- Abiotic sterile control: 100 µL acetone test item stock solution without inoculum, poisoned with 5 mL/L HgCl2 (10 g/L); duplicate
- Toxicity control: Test item at 19.65 mg/L + reference item 1 at 30 mg/L; triplicates (test end 5 replicates)
STATISTICAL METHODS: To calculate the 95 % confidence interval for the mean percentage biodegradation 5 replicates of test item,
reference item, toxicity control and inoculum control were set up for test end. - Reference substance:
- benzoic acid, sodium salt
- Reference substance:
- other: n-octanol
- Parameter:
- % degradation (CO2 evolution)
- Value:
- ca. 58
- Sampling time:
- 28 d
- Parameter:
- % degradation (CO2 evolution)
- Value:
- >= 60
- Sampling time:
- 30 d
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 67
- Sampling time:
- 43 d
- Remarks on result:
- other: 95% C.I. 63 - 71 %
- Parameter:
- % degradation (test mat. analysis)
- Value:
- 97
- Sampling time:
- 6 d
- Parameter:
- % degradation (test mat. analysis)
- Value:
- > 99
- Sampling time:
- 13 d
- Details on results:
- see Attached document below
- Results with reference substance:
- Benzoic acid, sodium salt: 60 % after 6 days, 94 % after 43 days.
n-Octanol: 60 after 6 days, 97 % after 43 days.
Toxicity control: 57 % after 13 days, 87 % after 45 days. - Validity criteria fulfilled:
- yes
- Interpretation of results:
- inherently biodegradable
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Remarks:
- Diisopropyl biphenyl isomer mixture (DIPB; CAS-No.: 69009-90-1) represents one main constituent of the registered UVCB (Alkylation and transalkylation products of biphenyl with propene)
- Adequacy of study:
- weight of evidence
- Reliability:
- 3 (not reliable)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- The substance is not compliant with the applicability domain of the model. However, this calculation is used as supporting information and is considered acceptable for this purpose. It is adequately documented and justified. For more detail see field `overall remarks, attachments´.
- Justification for type of information:
- 1. SOFTWARE
Vega version 1.1.4
2. MODEL (incl. version number)
Ready Biodegradability Model (IRFMN) v. 1.0.9
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached information on the model provided by the developer. Further information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables"
5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on results incl. tables".
6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: Vega v1.1.4
- Model(s) used: Ready biodegradability model (version 1.0.9)
Full reference and details of the used formulas can be found in:
Meylan W.M., Howard P.H., Boethling R.S. et al. Improved Method for Estimating Bioconcentration / Bioaccumulation Factor from Octanol/Water Partition Coefficient. 1999, Environ. Toxicol. Chem. 18(4): 664-672
- Model description: see field 'Justification for non-standard information', 'Attached justification' and 'any other information on Material and methods'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and/or 'overall remarks' - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge (adaptation not specified)
- Remarks on result:
- not determinable
- Interpretation of results:
- not readily biodegradable
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Remarks:
- Triisopropyl biphenyl isomer mixture (TIPB; CAS-No.: 29225-91-0) represents one main constituent of the registered UVCB (Alkylation and transalkylation products of biphenyl with propene)
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
Vega version 1.1.4
2. MODEL (incl. version number)
Ready Biodegradability Model (IRFMN) v. 1.0.9
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached information on the model provided by the developer. Further information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables"
5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on results incl. tables".
6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: Vega v1.1.4
- Model(s) used: Ready biodegradability model (version 1.0.9)
Full reference and details of the used formulas can be found in:
Meylan W.M., Howard P.H., Boethling R.S. et al. Improved Method for Estimating Bioconcentration / Bioaccumulation Factor from Octanol/Water Partition Coefficient. 1999, Environ. Toxicol. Chem. 18(4): 664-672
- Model description: see field 'Justification for non-standard information', 'Attached justification' and 'any other information on Material and methods'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and/or 'overall remarks' - GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge (adaptation not specified)
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Interpretation of results:
- not readily biodegradable
Referenceopen allclose all
Table 1: Biodegradation and Confidence Interval of the Test Item MIPB in Comparison
to the Functional Controls and the Toxicity Controls (Report Table 1)
|
Biodegradation [%]
|
Confidence |
||||
Replicates |
1 |
2 |
3 |
4 |
5 |
P = 95 % |
Test Item |
67 |
62 |
69 |
65 |
71 |
63 – 71 |
Functional Control 1 |
95 |
95 |
94 |
92 |
94 |
92 – 96 |
Functional Control 2 |
98 |
95 |
95 |
96 |
101 |
94 – 100 |
Toxicity Control, |
85 |
87 |
85 |
85 |
64** |
84 – 88 |
*)
= Analysed on day 45
**) =
Determined to be an outlier, not taken into account
Table 2: Primary Degradation of the Test Item MIPB: Results and Recovery Rates
of the Specific Chemical Analysis (Report Table 11)
Sampling day |
Solvent Control |
Abiotic Control |
Primary Degra-dation |
Test item |
Primary Degra-dation |
|||
|
|
Replicates |
Mean |
|
Replicates |
Mean |
|
|
0 |
< LOQS |
1.397 |
1.406 |
‑ |
1.372 |
1.385 |
‑ |
|
1.395 |
||||||||
1.415 |
||||||||
1.388 |
||||||||
6 |
< LOQS |
1.275 |
1.293 |
8 |
0.032 |
0.04 |
97 |
|
0.066 |
||||||||
1.310 |
||||||||
0.036 |
||||||||
13 |
< LOQS |
1.301 |
1.279 |
9 |
n.d. |
< LOD |
> 99 |
|
< LOD |
||||||||
1.258 |
||||||||
n.d. |
RR = Recovery rate referring to the concentration at test start
Italic = < LOQM(40 µg/L)
n.d. = not detectable
Table 3: CO2-Production and Biodegradation in the Test Item Samples (Report Table 7)
CO2-Production in mg C/L |
||||||||
Day |
P1 |
P2 |
P3 |
P4 |
P5 |
Mean |
Net MP |
Degr. [%] |
0 |
1.72 |
1.75 |
1.77 |
|
0.42 |
‑ |
‑ |
|
2 |
1.98 |
1.57 |
1.71 |
0.42 |
0.00 |
0 |
||
6 |
2.69 |
2.75 |
2.74 |
0.76 |
0.00 |
0 |
||
10 |
7.94 |
8.07 |
6.47 |
6.00 |
4.87 |
28 |
||
13 |
9.92 |
9.50 |
8.28 |
8.04 |
6.70 |
38 |
||
17 |
9.53 |
11.82 |
12.98 |
9.95 |
8.45 |
48 |
||
21 |
13.76 |
14.50 |
13.39 |
11.85 |
9.99 |
56 |
||
28 |
13.05 |
13.91 |
(11.42) |
12.06 |
10.33 |
58* |
||
35 |
14.90 |
15.24 |
14.30 |
12.76 |
11.55 |
65 |
||
43 |
15.16 |
14.30 |
15.51 |
14.69 |
15.89 |
13.52 |
11.85 |
67 |
Mean =
mean values (NaOH corrected)
Net MP =
netto mean production (corrected for inoculum control values)
Degr. =
degradation
*) =
calculated only with P1and P2
For detailed information on the results please refer to the attached report.
The model was not reliable to perform an assessment. However, some information on similar substances are reported (see Table 1 or attached report) which gives hints that the aromatic biphenyl ring system is readily biodegradable whereas the constituent DIPB with its two isopropyl side chains is not readily biodegradable.
Table 1. Model performance on similar substances
name and/or CAS No. |
SMILES |
Index of similarity to the test compound |
Experimental result |
Predicted result |
Quality of prediction * |
92-52-4 |
c1ccc(cc1)c2ccccc2 |
0.863 |
Readily Biodegradable |
Not classifiable |
N/A |
13540-50-6 |
c1ccc(cc1)Cc2cc(ccc2C)C |
0.852 |
NON Readily Biodegradable |
NON Readily Biodegradable |
Good |
100-18-5 |
c1cc(ccc1C(C)C)C(C)C |
0.85 |
NON Readily Biodegradable |
NON Readily Biodegradable |
Good |
*difference between experimental and predicted values
For detailed information on the results please refer to the attached report.
The prediction is “NON readily biodegradable” and the molecule falls within the applicability domain of the model (AD index = 0.912). The measured applicability domain scores achieved good assessment except the similarity index of 0.831 (only moderately similar compounds with known experimental value in the training set been found). Overall, the result appears to be reliable. The performance of the model on similar molecules is good (see Table 2 or attached report).
The model detected an alert related to non ready biodegradability activity, defined by the SMARTS: c1ccc(c(c1)CC)C. Following, the most similar compounds from the model's dataset having the same fragment (1-ethyl-2-methylbenzene) (see Table 1 or attached report)
Table 1. Most similar compounds from the model's dataset having the fragment (1-ethyl-2-methylbenzene)
name and/or CAS No. |
SMILES |
Index of similarity to the test compound |
Experimental result |
Predicted result |
Quality of prediction * |
577-55-9 |
c1ccc(c(c1)C(C)C)C(C)C |
0.788 |
NON Readily Biodegradable |
NON Readily Biodegradable |
Good |
527-84-4 |
c1ccc(c(c1)C)C(C)C |
0.756 |
NON Readily Biodegradable |
NON Readily Biodegradable |
Good |
135-01-3 |
c1ccc(c(c1)CC)CC |
0.744 |
NON Readily Biodegradable |
NON Readily Biodegradable |
Good |
*difference between experimental and predicted values
Table 2. Model performance on similar substances
name and/or CAS No. |
SMILES |
Index of similarity to the test compound |
Experimental result |
Predicted result |
Quality of prediction * |
13540-50-6 |
c1ccc(cc1)Cc2cc(ccc2C)C |
0.818 |
NON Readily Biodegradable |
NON Readily Biodegradable |
Good |
86-73-7 |
c1ccc3c(c1)c2ccccc2C3 |
0.815 |
NON Readily Biodegradable |
NON Readily Biodegradable |
Good |
35860-37-8 |
c2cc1c(cc(cc1C(C)C)C(C)C)c(c2)C(C)C |
0.867 |
NON Readily Biodegradable |
NON Readily Biodegradable |
Good |
*difference between experimental and predicted values
Description of key information
Not readily biodegradable based on a weight of evidence assessment for main constituents of the UVCB substance (including QSAR estimates).
Key value for chemical safety assessment
Additional information
For Alkylation and transalkylation products of biphenyl with propene no biodegradation screening test in water is available. However, based on experimental data available for the constituent MIPB (monoisopropyl biphenyl) and QSAR estimates for the two main constituents DIPB (diisopropyl biphenyl) and TIPB (triisopropyl biphenyl) it can be concluded that the UVCB substance does not meet the OECD criteria for ready biodegradability.
In an OECD 310 headspace test with a prolonged test duration of 45 days 67% degradation of MIPB was observed. The 10 % adaption phase was reached on day 10, the pass level of 60% was reached on day 30. Based on the result it can be concluded that MIPB does not meet the persistence criteria and can be fully mineralized within a short period of time at environmental conditions.
The ready biodegradability of the main constituents DIPB and TIPB was estimated by QSAR (VEGA 1.1.4; Ready Biodegradability model (IRFMN) 1.0.9). For DIPB the QSAR model was outside of the applicability domain and no prediction on biodegradability was performed. However, the data on similar substances listed in the training set of the model provide valuable information. In the training set experimental data are reported for the biphenyl (CAS 92-52-4) and for 1,4-diisopropylbenzene (CAS 100-18-5) which consists of only one phenyl ring with two isopropyl side chains. According to the presented experimental results the aromatic biphenyl ring system without isopropyl side chains is readily biodegradable, whereas 1,4-diisopropylbenzene is not readily biodegradable. The presented data in combination with the experimental result of the OECD 310 study with MIPB (see above) indicate that the degradability of the biphenyl derivatives decreases with an increasing number of isopropyl chains (biphenyl > MIPB > DIPB > TIPB). This is in line with the QSAR calculation for TIPB predicting no ready biodegradability. The QSAR prediction for TIPB is considered reliable and falls within the applicability domain of the model.
Based on the information on screening test level persistence can only be excluded for MIPB, whereas a final conclusion on the P/vP criterion cannot be drawn for the main constituents DIPB and TIPB.
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.
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