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EC number: 500-047-1 | CAS number: 26316-40-5 1 - 4.8 moles ethoxylated and 1 - 8.5 moles propoxylated
- 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
Additional information on environmental fate and behaviour
Some information in this page has been claimed confidential.
Administrative data
- Endpoint:
- additional information on environmental fate and behaviour
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted QSAR tool according to ECHA Ch.R7b, predictions supported by QMRF report and all predicted substances within parametric and structural domains.
Data source
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Deviations:
- not applicable
- Principles of method if other than guideline:
- Prediction of microbial metabolism of parent UVCB components, based on library of known catabolic pathways for various organic chemicals. Predicted metabolites are reported, along with associated calculated log Pow values, regardless of probability/likelihood/yield for each.
- GLP compliance:
- no
- Type of study / information:
- QSAR Predicted microbial metabolism of UBCB components, identified possible metabolites and associated log Pow values.
Test material
- Details on test material:
- The components of the UVCB substance, and associated typical and range of weight percent are listed in Section 1. The eight representative parent components which were entered into the Catalogic model are represented by the following SMILES codes:
CC(O)CN(CCN(CCO)CC(C)O)CC(C)O
CC(O)CN(CCN(CCO)CCO)CC(C)O
CC(O)CN(CCN(CCO)CC(C)O)CCO
CC(O)CN(CCN(CCO)CC(C)O)CC(C)O
CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O
OCCN(CCN(CCO)CCO)CCO
CC(O)COCCN(CCN(CCO)CCO)CCO
CC(CN(CCN(CCO)CC(C)O)CC(C)O)OCC(C)O
Constituent 1
Results and discussion
Any other information on results incl. tables
Quantity | log Kow | Molecular weight | Reliability | BOD_Observed [28] | Predicted BOD [28] | Parameter ranges | Correct fragments Structural domain | Incorrect fragments Structural domain | Unknown fragments Structural domain | Total Structural domain | Unable to mineralize | Total Domain |
1.42E-06 | -2.9174 | 264.3512 | N/A | NO EXP. | 34% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0007819 | -2.9909 | 264.3512 | 0.6 | NO EXP. | 34% | In domain | 94.44% | 0.00% | 5.56% | Out of domain | In domain | Out of Domain |
0.0007531 | -1.9782 | 218.2848 | 0 | NO EXP. | 28% | In domain | 86.67% | 0.00% | 13.33% | Out of domain | In domain | Out of Domain |
5.98E-05 | -1.6656 | 175.2183 | 0 | NO EXP. | 81% | In domain | 91.67% | 0.00% | 8.33% | Out of domain | In domain | Out of Domain |
0.4209 | -1.8033 | 174.2342 | 0 | NO EXP. | 20% | In domain | 91.67% | 0.00% | 8.33% | Out of domain | In domain | Out of Domain |
6.99E-05 | -2.4378 | 191.2173 | 0 | NO EXP. | 80% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
5.97E-05 | -1.8218 | 173.2025 | 0 | NO EXP. | 83% | In domain | 83.33% | 0.00% | 16.67% | Out of domain | In domain | Out of Domain |
0.0006065 | -2.6672 | 262.3354 | N/A | NO EXP. | 35% | In domain | 94.44% | 0.00% | 5.56% | Out of domain | In domain | Out of Domain |
0.01738 | -2.1549 | 220.3006 | 0.5143 | NO EXP. | 24% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0007815 | -2.7407 | 262.3354 | 0 | NO EXP. | 36% | In domain | 88.89% | 0.00% | 11.11% | Out of domain | In domain | Out of Domain |
0.0007535 | -2.2284 | 220.3006 | 0.3086 | NO EXP. | 25% | In domain | 93.33% | 0.00% | 6.67% | Out of domain | In domain | Out of Domain |
0.01737 | -1.9047 | 218.2848 | 0 | NO EXP. | 27% | In domain | 93.33% | 0.00% | 6.67% | Out of domain | In domain | Out of Domain |
0.4212 | -1.6471 | 176.25 | 0.2645 | NO EXP. | 15% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
1.42E-06 | -2.9174 | 264.3512 | N/A | NO EXP. | 49% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0007819 | -2.9909 | 264.3512 | 0.6 | NO EXP. | 49% | In domain | 94.44% | 0.00% | 5.56% | Out of domain | In domain | Out of Domain |
0.008684 | -1.9047 | 218.2848 | 0 | NO EXP. | 44% | In domain | 93.33% | 0.00% | 6.67% | Out of domain | In domain | Out of Domain |
0.0005634 | -1.3924 | 176.25 | 0.2645 | NO EXP. | 34% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0003765 | -1.9782 | 218.2848 | 0 | NO EXP. | 45% | In domain | 86.67% | 0.00% | 13.33% | Out of domain | In domain | Out of Domain |
0.0003765 | -1.9782 | 218.2848 | 0 | NO EXP. | 45% | In domain | 86.67% | 0.00% | 13.33% | Out of domain | In domain | Out of Domain |
0.03289 | -1.5486 | 174.2342 | N/A | NO EXP. | 36% | In domain | 91.67% | 0.00% | 8.33% | Out of domain | In domain | Out of Domain |
9.28E-07 | -1.2984 | 172.2184 | N/A | NO EXP. | 36% | In domain | 83.33% | 0.00% | 16.67% | Out of domain | In domain | Out of Domain |
0.0009281 | -3.0682 | 202.2006 | 0 | NO EXP. | 28% | In domain | 50.00% | 0.00% | 50.00% | Out of domain | In domain | Out of Domain |
0.8563 | -1.4584 | 116.1578 | 0 | NO EXP. | 27% | In domain | 87.50% | 0.00% | 12.50% | Out of domain | In domain | Out of Domain |
0.0006065 | -2.6672 | 262.3354 | N/A | NO EXP. | 49% | In domain | 94.44% | 0.00% | 5.56% | Out of domain | In domain | Out of Domain |
5.87E-05 | -1.4769 | 115.1261 | 0 | NO EXP. | 91% | In domain | 75.00% | 0.00% | 25.00% | Out of domain | In domain | Out of Domain |
0.01738 | -2.1549 | 220.3006 | 0.5143 | NO EXP. | 43% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0003907 | -2.7407 | 262.3354 | 0 | NO EXP. | 49% | In domain | 88.89% | 0.00% | 11.11% | Out of domain | In domain | Out of Domain |
0.0003907 | -2.7407 | 262.3354 | 0 | NO EXP. | 49% | In domain | 88.89% | 0.00% | 11.11% | Out of domain | In domain | Out of Domain |
0.0007535 | -2.2284 | 220.3006 | 0.3086 | NO EXP. | 44% | In domain | 93.33% | 0.00% | 6.67% | Out of domain | In domain | Out of Domain |
0.008684 | -1.9047 | 218.2848 | 0 | NO EXP. | 44% | In domain | 93.33% | 0.00% | 6.67% | Out of domain | In domain | Out of Domain |
1.40E-06 | -2.4998 | 278.377 | N/A | NO EXP. | 38% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0003909 | -2.5733 | 278.377 | 0.6 | NO EXP. | 39% | In domain | 94.74% | 0.00% | 5.26% | Out of domain | In domain | Out of Domain |
0.01108 | -1.6433 | 230.2948 | N/A | NO EXP. | 33% | In domain | 87.50% | 0.00% | 12.50% | Out of domain | In domain | Out of Domain |
0.01741 | -2.2496 | 276.3612 | N/A | NO EXP. | 39% | In domain | 94.74% | 0.00% | 5.26% | Out of domain | In domain | Out of Domain |
0.008707 | -2.2496 | 276.3612 | N/A | NO EXP. | 39% | In domain | 94.74% | 0.00% | 5.26% | Out of domain | In domain | Out of Domain |
1.00E-05 | -1.7373 | 234.3264 | 0.5143 | NO EXP. | 32% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0007551 | -2.3231 | 276.3612 | 0 | NO EXP. | 40% | In domain | 89.47% | 0.00% | 10.53% | Out of domain | In domain | Out of Domain |
0.0003775 | -2.3231 | 276.3612 | 0 | NO EXP. | 40% | In domain | 89.47% | 0.00% | 10.53% | Out of domain | In domain | Out of Domain |
0.0007593 | -1.4871 | 232.3106 | N/A | NO EXP. | 32% | In domain | 93.75% | 0.00% | 6.25% | Out of domain | In domain | Out of Domain |
0.0003797 | -1.4871 | 232.3106 | N/A | NO EXP. | 32% | In domain | 93.75% | 0.00% | 6.25% | Out of domain | In domain | Out of Domain |
1.37E-06 | -2.0822 | 292.4028 | N/A | NO EXP. | 25% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
6.42E-07 | -4.9777 | 288.286 | 0 | NO EXP. | 13% | In domain | 90.00% | 0.00% | 10.00% | Out of domain | In domain | Out of Domain |
4.01E-05 | -1.832 | 290.387 | N/A | NO EXP. | 26% | In domain | 95.00% | 0.00% | 5.00% | Out of domain | In domain | Out of Domain |
0.3209 | -3.9777 | 288.286 | 0 | NO EXP. | 8% | In domain | 90.00% | 0.00% | 10.00% | Out of domain | In domain | Out of Domain |
0.0006418 | -6.7475 | 318.2682 | 0 | NO EXP. | 5% | In domain | 68.18% | 0.00% | 31.82% | Out of domain | In domain | Out of Domain |
3.21E-10 | -3.8567 | 230.2522 | N/A | NO EXP. | 28% | In domain | 81.25% | 0.00% | 18.75% | Out of domain | In domain | Out of Domain |
0.6411 | -4.4175 | 290.2592 | 0 | NO EXP. | 10% | In domain | 95.00% | 0.00% | 5.00% | Out of domain | In domain | Out of Domain |
0.0007809 | -1.5818 | 288.3712 | N/A | NO EXP. | 26% | In domain | 90.00% | 0.00% | 10.00% | Out of domain | In domain | Out of Domain |
0.0003905 | -1.5818 | 288.3712 | N/A | NO EXP. | 26% | In domain | 90.00% | 0.00% | 10.00% | Out of domain | In domain | Out of Domain |
0.03418 | -1.738 | 286.3554 | N/A | NO EXP. | 26% | In domain | 85.00% | 0.00% | 15.00% | Out of domain | In domain | Out of Domain |
9.65E-13 | -1.4878 | 284.3396 | N/A | NO EXP. | 26% | In domain | 80.00% | 0.00% | 20.00% | Out of domain | In domain | Out of Domain |
0.0009646 | -3.2576 | 314.3218 | 0 | NO EXP. | 21% | In domain | 59.09% | 0.00% | 40.91% | Out of domain | In domain | Out of Domain |
9.64E-10 | -3.9514 | 286.3128 | 0 | NO EXP. | 18% | In domain | 85.00% | 0.00% | 15.00% | Out of domain | In domain | Out of Domain |
0.0006424 | -6.3077 | 316.295 | 0 | NO EXP. | 16% | In domain | 63.64% | 0.00% | 36.36% | Out of domain | In domain | Out of Domain |
0.0003212 | -6.3077 | 316.295 | 0 | NO EXP. | 4% | In domain | 63.64% | 0.00% | 36.36% | Out of domain | In domain | Out of Domain |
1.47E-06 | -3.7526 | 236.2996 | 0.0596 | NO EXP. | 75% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.001564 | -3.8261 | 236.2996 | 0.6 | NO EXP. | 75% | In domain | 93.75% | 0.00% | 6.25% | Out of domain | In domain | Out of Domain |
0.0005192 | -2.5558 | 148.1984 | 0.1587 | NO EXP. | 74% | In domain | 90.00% | 0.00% | 10.00% | Out of domain | In domain | Out of Domain |
0.03462 | -2.1262 | 104.1478 | 0.136 | NO EXP. | 72% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.001501 | -2.1997 | 104.1478 | 0.0816 | NO EXP. | 74% | In domain | 85.71% | 0.00% | 14.29% | Out of domain | In domain | Out of Domain |
0.2524 | -1.6184 | 60.0972 | 0.0699 | NO EXP. | 71% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0007055 | -1.6369 | 59.0655 | 0 | NO EXP. | 95% | In domain | 75.00% | 0.00% | 25.00% | Out of domain | In domain | Out of Domain |
7.05E-07 | -1.6554 | 58.0338 | 0 | NO EXP. | 94% | In domain | 0.00% | 0.00% | 100.00% | Out of domain | In domain | Out of Domain |
4.22E-05 | -2.9901 | 192.249 | 0.5143 | NO EXP. | 75% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.001041 | -3.0636 | 192.249 | 0.3086 | NO EXP. | 75% | In domain | 92.31% | 0.00% | 7.69% | Out of domain | In domain | Out of Domain |
0.0005206 | -3.0636 | 192.249 | 0.3086 | NO EXP. | 75% | In domain | 92.31% | 0.00% | 7.69% | Out of domain | In domain | Out of Domain |
0.0008058 | -2.2276 | 148.1984 | 0.2645 | NO EXP. | 74% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0004029 | -2.4823 | 148.1984 | 0.2645 | NO EXP. | 74% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.001038 | -2.3011 | 148.1984 | 0.1587 | NO EXP. | 74% | In domain | 90.00% | 0.00% | 10.00% | Out of domain | In domain | Out of Domain |
9.81E-08 | -3.6094 | 294.376 | 0.0351 | NO EXP. | 40% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0007756 | -3.6829 | 294.376 | 0.6 | NO EXP. | 40% | In domain | 95.00% | 0.00% | 5.00% | Out of domain | In domain | Out of Domain |
0.0003867 | -2.9204 | 250.3254 | 0.3086 | NO EXP. | 33% | In domain | 94.12% | 0.00% | 5.88% | Out of domain | In domain | Out of Domain |
0.0003867 | -2.9204 | 250.3254 | 0.3086 | NO EXP. | 33% | In domain | 94.12% | 0.00% | 5.88% | Out of domain | In domain | Out of Domain |
0.0003867 | -2.9204 | 250.3254 | 0.3086 | NO EXP. | 33% | In domain | 94.12% | 0.00% | 5.88% | Out of domain | In domain | Out of Domain |
0.0002068 | -2.8583 | 248.3096 | 0 | NO EXP. | 36% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0001034 | -2.8583 | 248.3096 | 0 | NO EXP. | 36% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.008596 | -2.3391 | 206.2748 | 0.2645 | NO EXP. | 22% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.01719 | -2.0844 | 206.2748 | 0.2645 | NO EXP. | 22% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0001333 | -2.9318 | 248.3096 | 0 | NO EXP. | 37% | In domain | 94.12% | 0.00% | 5.88% | Out of domain | In domain | Out of Domain |
0.0001333 | -2.9318 | 248.3096 | 0 | NO EXP. | 37% | In domain | 94.12% | 0.00% | 5.88% | Out of domain | In domain | Out of Domain |
0.0001333 | -2.9318 | 248.3096 | 0 | NO EXP. | 37% | In domain | 94.12% | 0.00% | 5.88% | Out of domain | In domain | Out of Domain |
0.0003878 | -3.6829 | 294.376 | 0.6 | NO EXP. | 40% | In domain | 95.00% | 0.00% | 5.00% | Out of domain | In domain | Out of Domain |
0.0003727 | -2.4126 | 206.2748 | 0.1587 | NO EXP. | 32% | In domain | 92.86% | 0.00% | 7.14% | Out of domain | In domain | Out of Domain |
0.0007454 | -2.1579 | 206.2748 | 0.1587 | NO EXP. | 32% | In domain | 92.86% | 0.00% | 7.14% | Out of domain | In domain | Out of Domain |
0.002962 | -2.7569 | 204.259 | 0 | NO EXP. | 28% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.005923 | -2.5022 | 204.259 | 0 | NO EXP. | 28% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.6678 | -1.983 | 162.2242 | 0.136 | NO EXP. | 11% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0001284 | -2.8304 | 204.259 | 0 | NO EXP. | 37% | In domain | 92.86% | 0.00% | 7.14% | Out of domain | In domain | Out of Domain |
0.0002568 | -2.5757 | 204.259 | 0 | NO EXP. | 36% | In domain | 92.86% | 0.00% | 7.14% | Out of domain | In domain | Out of Domain |
4.58E-05 | -2.0015 | 161.1925 | 0 | NO EXP. | 87% | In domain | 90.91% | 0.00% | 9.09% | Out of domain | In domain | Out of Domain |
0.2301 | -1.9944 | 160.2084 | 0 | NO EXP. | 20% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0006017 | -2.7737 | 177.1915 | 0 | NO EXP. | 87% | In domain | 91.67% | 0.00% | 8.33% | Out of domain | In domain | Out of Domain |
1.08E-05 | -3.6208 | 292.3602 | 0 | NO EXP. | 42% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
1.58E-05 | -2.0129 | 159.1767 | 0 | NO EXP. | 90% | In domain | 90.91% | 0.00% | 9.09% | Out of domain | In domain | Out of Domain |
0.000979 | -1.469 | 119.1577 | 0 | NO EXP. | 87% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0002073 | -3.784 | 175.1757 | 0 | NO EXP. | 90% | In domain | 91.67% | 0.00% | 8.33% | Out of domain | In domain | Out of Domain |
4.42E-05 | -1.4875 | 118.126 | 0 | NO EXP. | 87% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0003373 | -1.4804 | 117.1419 | 0 | NO EXP. | 91% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
4.41E-05 | -1.2348 | 134.125 | 0 | NO EXP. | 85% | In domain | 88.89% | 0.00% | 11.11% | Out of domain | In domain | Out of Domain |
1.52E-05 | -1.4989 | 116.1102 | 0 | NO EXP. | 91% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
4.41E-05 | -0.782 | 76.0912 | 0 | NO EXP. | 81% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
1.52E-05 | -1.2462 | 132.1092 | 0 | NO EXP. | 90% | In domain | 88.89% | 0.00% | 11.11% | Out of domain | In domain | Out of Domain |
4.41E-05 | -1.2131 | 74.0754 | 0 | NO EXP. | 81% | In domain | 80.00% | 0.00% | 20.00% | Out of domain | In domain | Out of Domain |
1.52E-05 | -0.782 | 74.0754 | 0 | NO EXP. | 86% | In domain | 80.00% | 0.00% | 20.00% | Out of domain | In domain | Out of Domain |
0.0006003 | -2.8469 | 250.3254 | 0.5143 | NO EXP. | 33% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0003002 | -2.8469 | 250.3254 | 0.5143 | NO EXP. | 33% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0002672 | -3.6943 | 292.3602 | 0 | NO EXP. | 44% | In domain | 95.00% | 0.00% | 5.00% | Out of domain | In domain | Out of Domain |
0.0001336 | -3.6943 | 292.3602 | 0 | NO EXP. | 44% | In domain | 95.00% | 0.00% | 5.00% | Out of domain | In domain | Out of Domain |
8.09E-05 | -2.3566 | 336.4534 | N/A | NO EXP. | 40% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0007692 | -2.4301 | 336.4534 | 0.6 | NO EXP. | 41% | In domain | 95.65% | 0.00% | 4.35% | Out of domain | In domain | Out of Domain |
9.45E-10 | -1.5115 | 286.3554 | N/A | NO EXP. | 37% | In domain | 90.00% | 0.00% | 10.00% | Out of domain | In domain | Out of Domain |
0.000315 | -3.0197 | 316.3376 | 0 | NO EXP. | 41% | In domain | 63.64% | 0.00% | 36.36% | Out of domain | In domain | Out of Domain |
0.000315 | -3.2813 | 316.3376 | 0 | NO EXP. | 36% | In domain | 68.18% | 0.00% | 31.82% | Out of domain | In domain | Out of Domain |
0.000315 | -3.2813 | 316.3376 | 0 | NO EXP. | 22% | In domain | 68.18% | 0.00% | 31.82% | Out of domain | In domain | Out of Domain |
0.0003147 | -4.8897 | 288.3286 | 0 | NO EXP. | 36% | In domain | 85.00% | 0.00% | 15.00% | Out of domain | In domain | Out of Domain |
3.15E-07 | -3.9751 | 288.3286 | 0 | NO EXP. | 34% | In domain | 95.00% | 0.00% | 5.00% | Out of domain | In domain | Out of Domain |
0.004137 | -3.9751 | 288.3286 | 0 | NO EXP. | 23% | In domain | 90.00% | 0.00% | 10.00% | Out of domain | In domain | Out of Domain |
0.001349 | -1.4027 | 74.0328 | N/A | NO EXP. | 90% | In domain | 0.00% | 0.00% | 100.00% | Out of domain | In domain | Out of Domain |
0.01076 | -1.6433 | 230.2948 | 0 | NO EXP. | 33% | In domain | 87.50% | 0.00% | 12.50% | Out of domain | In domain | Out of Domain |
0.0001573 | -6.0698 | 318.3108 | 0 | NO EXP. | 35% | In domain | 68.18% | 0.00% | 31.82% | Out of domain | In domain | Out of Domain |
0.0001573 | -6.3314 | 318.3108 | 0 | NO EXP. | 22% | In domain | 72.73% | 0.00% | 27.27% | Out of domain | In domain | Out of Domain |
0.0177 | -2.368 | 334.4376 | 0 | NO EXP. | 41% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.2719 | -1.6715 | 230.2948 | 0 | NO EXP. | 21% | In domain | 93.75% | 0.00% | 6.25% | Out of domain | In domain | Out of Domain |
0.2567 | -1.7365 | 90.0318 | 0 | NO EXP. | 81% | In domain | 0.00% | 0.00% | 100.00% | Out of domain | In domain | Out of Domain |
3.04E-10 | -1.3931 | 228.279 | N/A | NO EXP. | 33% | In domain | 81.25% | 0.00% | 18.75% | Out of domain | In domain | Out of Domain |
0.0001572 | -4.7398 | 290.3018 | 0 | NO EXP. | 32% | In domain | 90.00% | 0.00% | 10.00% | Out of domain | In domain | Out of Domain |
0.002067 | -5.0014 | 290.3018 | 0 | NO EXP. | 24% | In domain | 95.00% | 0.00% | 5.00% | Out of domain | In domain | Out of Domain |
3.86E-05 | -1.69 | 229.2631 | 0 | NO EXP. | 80% | In domain | 87.50% | 0.00% | 12.50% | Out of domain | In domain | Out of Domain |
0.0002024 | -3.1629 | 258.2612 | 0 | NO EXP. | 28% | In domain | 55.56% | 0.00% | 44.44% | Out of domain | In domain | Out of Domain |
0.0001012 | -3.1629 | 258.2612 | 0 | NO EXP. | 26% | In domain | 55.56% | 0.00% | 44.44% | Out of domain | In domain | Out of Domain |
0.005374 | -3.108 | 232.268 | 0 | NO EXP. | 30% | In domain | 93.75% | 0.00% | 6.25% | Out of domain | In domain | Out of Domain |
0.1358 | -4.1351 | 232.268 | 0 | NO EXP. | 25% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.001141 | -1.5941 | 292.4028 | 0.5143 | NO EXP. | 36% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
3.86E-08 | -3.4611 | 245.2621 | 0 | NO EXP. | 80% | In domain | 94.12% | 0.00% | 5.88% | Out of domain | In domain | Out of Domain |
1.93E-05 | -4.1536 | 231.2363 | 0 | NO EXP. | 78% | In domain | 93.75% | 0.00% | 6.25% | Out of domain | In domain | Out of Domain |
1.93E-05 | -5.5558 | 275.2443 | 0 | NO EXP. | 83% | In domain | 63.16% | 0.00% | 36.84% | Out of domain | In domain | Out of Domain |
1.93E-05 | -5.8174 | 275.2443 | 0 | NO EXP. | 73% | In domain | 68.42% | 0.00% | 31.58% | Out of domain | In domain | Out of Domain |
0.0001769 | -6.213 | 260.2344 | 0 | NO EXP. | 5% | In domain | 61.11% | 0.00% | 38.89% | Out of domain | In domain | Out of Domain |
0.0001769 | -6.213 | 260.2344 | 0 | NO EXP. | 28% | In domain | 61.11% | 0.00% | 38.89% | Out of domain | In domain | Out of Domain |
0.08737 | -1.5531 | 172.2184 | 0 | NO EXP. | 24% | In domain | 83.33% | 0.00% | 16.67% | Out of domain | In domain | Out of Domain |
0.003851 | -3.4874 | 247.2353 | 0 | NO EXP. | 81% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.0009807 | -0.1659 | 44.0506 | 0.5143 | NO EXP. | 78% | In domain | 33.33% | 0.00% | 66.67% | Out of domain | In domain | Out of Domain |
1.93E-05 | -4.2258 | 247.2353 | 0 | NO EXP. | 82% | In domain | 88.24% | 0.00% | 11.76% | Out of domain | In domain | Out of Domain |
0.1767 | -3.883 | 232.2254 | 0 | NO EXP. | 12% | In domain | 93.75% | 0.00% | 6.25% | Out of domain | In domain | Out of Domain |
0.002324 | -4.883 | 232.2254 | 0 | NO EXP. | 30% | In domain | 87.50% | 0.00% | 12.50% | Out of domain | In domain | Out of Domain |
1.24E-05 | -1.5716 | 171.1867 | 0 | NO EXP. | 84% | In domain | 75.00% | 0.00% | 25.00% | Out of domain | In domain | Out of Domain |
0.0004557 | -3.3664 | 189.2015 | 0 | NO EXP. | 83% | In domain | 92.31% | 0.00% | 7.69% | Out of domain | In domain | Out of Domain |
0.0006584 | -2.594 | 189.2015 | 0 | NO EXP. | 83% | In domain | 92.31% | 0.00% | 7.69% | Out of domain | In domain | Out of Domain |
1.77E-10 | -3.762 | 174.1916 | N/A | NO EXP. | 30% | In domain | 83.33% | 0.00% | 16.67% | Out of domain | In domain | Out of Domain |
0.1527 | -4.0167 | 174.1916 | 0 | NO EXP. | 31% | In domain | 91.67% | 0.00% | 8.33% | Out of domain | In domain | Out of Domain |
3.10E-08 | -3.3427 | 187.1857 | N/A | NO EXP. | 83% | In domain | 84.62% | 0.00% | 15.38% | Out of domain | In domain | Out of Domain |
0.0007674 | -2.4415 | 334.4376 | 0 | NO EXP. | 42% | In domain | 95.65% | 0.00% | 4.35% | Out of domain | In domain | Out of Domain |
0.0007415 | -1.0628 | 131.1677 | 0 | NO EXP. | 82% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.01239 | -4.0352 | 173.1599 | 0 | NO EXP. | 88% | In domain | 83.33% | 0.00% | 16.67% | Out of domain | In domain | Out of Domain |
0.0124 | -5.699 | 217.1679 | 0 | NO EXP. | 80% | In domain | 53.33% | 0.00% | 46.67% | Out of domain | In domain | Out of Domain |
3.35E-05 | -1.0813 | 130.136 | 0 | NO EXP. | 81% | In domain | 88.89% | 0.00% | 11.11% | Out of domain | In domain | Out of Domain |
0.002784 | -3.369 | 189.1589 | 0 | NO EXP. | 91% | In domain | 92.31% | 0.00% | 7.69% | Out of domain | In domain | Out of Domain |
0.00383 | -0.8286 | 146.135 | 0 | NO EXP. | 85% | In domain | 90.00% | 0.00% | 10.00% | Out of domain | In domain | Out of Domain |
5.43E-05 | -1.4959 | 72.0596 | 0 | NO EXP. | 82% | In domain | 0.00% | 0.00% | 100.00% | Out of domain | In domain | Out of Domain |
0.0003294 | -3.248 | 131.1251 | 0 | NO EXP. | 91% | In domain | 77.78% | 0.00% | 22.22% | Out of domain | In domain | Out of Domain |
2.96E-05 | -0.649 | 90.0744 | 0 | NO EXP. | 78% | In domain | 83.33% | 0.00% | 16.67% | Out of domain | In domain | Out of Domain |
8.38E-05 | -1.2432 | 88.0586 | 0 | NO EXP. | 78% | In domain | 0.00% | 0.00% | 100.00% | Out of domain | In domain | Out of Domain |
2.47E-05 | -0.9444 | 73.0913 | 0 | NO EXP. | 88% | In domain | 80.00% | 0.00% | 20.00% | Out of domain | In domain | Out of Domain |
0.2923 | 0.0868 | 60.0496 | 0.5143 | NO EXP. | 73% | In domain | 50.00% | 0.00% | 50.00% | Out of domain | In domain | Out of Domain |
0.001147 | -1.6055 | 290.387 | 0 | NO EXP. | 38% | In domain | 100.00% | 0.00% | 0.00% | In domain | In domain | In domain |
0.01674 | -1.7617 | 288.3712 | N/A | NO EXP. | 40% | In domain | 95.00% | 0.00% | 5.00% | Out of domain | In domain | Out of Domain |
0.01674 | -1.7617 | 288.3712 | N/A | NO EXP. | 36% | In domain | 95.00% | 0.00% | 5.00% | Out of domain | In domain | Out of Domain |
Applicant's summary and conclusion
- Conclusions:
- For the eight representative parent components of the UVCB substance, a total of 167 possible metabolites were identified (with numerous duplicates removed). These metabolites have calculated log Pow values ranging from -6.8 to 0.1. All parent and metabolite substances are within the parametric (e.g., log Pow, mol. wt.) and structural domains of the model. None of these contained incorrect structural fragments which are not recognized by the model. All parent substances and associated metabolites are shown to be ultimately degraded to CO2, according to known and accepted microbial transformations.
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