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EC number: 270-126-0 | CAS number: 68411-44-9
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Regulatory accepted model for assessment of chemical substances
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 009
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- level III fugacity model (EPI Suit v.4.00)
- Release year:
- 2 009
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Butylbenzene
- EC Number:
- 203-209-7
- EC Name:
- Butylbenzene
- Cas Number:
- 104-51-8
- Molecular formula:
- C10H14
- IUPAC Name:
- butylbenzene
- Reference substance name:
- sec-butylbenzene
- EC Number:
- 205-227-0
- EC Name:
- sec-butylbenzene
- Cas Number:
- 135-98-8
- Molecular formula:
- C10H14
- IUPAC Name:
- sec-butylbenzene
- Reference substance name:
- tert-butylbenzene
- EC Number:
- 202-632-4
- EC Name:
- tert-butylbenzene
- Cas Number:
- 98-06-6
- Molecular formula:
- C10H14
- IUPAC Name:
- tert-butylbenzene
- Reference substance name:
- Isobutylbenzene
- EC Number:
- 208-706-2
- EC Name:
- Isobutylbenzene
- Cas Number:
- 538-93-2
- IUPAC Name:
- isobutylbenzene
- Reference substance name:
- p-cymene
- EC Number:
- 202-796-7
- EC Name:
- p-cymene
- Cas Number:
- 99-87-6
- Molecular formula:
- C10H14
- IUPAC Name:
- 1-isopropyl-4-methylbenzene
- Reference substance name:
- m-cymene
- EC Number:
- 208-617-9
- EC Name:
- m-cymene
- Cas Number:
- 535-77-3
- Molecular formula:
- C10H14
- IUPAC Name:
- 1-isopropyl-3-methylbenzene
- Reference substance name:
- Cumene
- EC Number:
- 202-704-5
- EC Name:
- Cumene
- Cas Number:
- 98-82-8
- Molecular formula:
- C9H12
- IUPAC Name:
- isopropylbenzene
- Reference substance name:
- Propylbenzene
- EC Number:
- 203-132-9
- EC Name:
- Propylbenzene
- Cas Number:
- 103-65-1
- Molecular formula:
- C9H12
- IUPAC Name:
- propylbenzene
- Details on test material:
- Component substances
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Constituent 5
Constituent 6
Constituent 7
Constituent 8
Results and discussion
Any other information on results incl. tables
Distribution of butylbenzene components in environment as predicted by level III fugacity model
Modelling Scenario, Emissions (kg/hour) |
Component |
Environmental Media
|
Persistence time, hr Amount reacted; Amount advected |
|||
Air |
Water |
Soil |
Sediment |
|||
Release to air, water and soil: Air: 1000 kg/hr Water: 1000 kg/hr Soil: 1000 kg/hr |
n-Butylbenzene (EC no.: 203-209-7; CAS no.: 104-51-8) |
10.1% |
30% |
58.3% |
1.5% |
206 hours Reacted: 72.9% Advected: 27.1% |
sec-butylbenzene (EC no.: 205-227-0; CAS no.: 135-98-8) |
11.4% |
32.4% |
54.7% |
1.47% |
191 hours Reacted: 72% Advected: 28% |
|
tert-butylbenzene (EC no.: 202-632-4; CAS no.: 98-06-6) |
14.5% |
31.9% |
51.7% |
1.77% |
248 hours Reacted: 55.9% Advected: 44.1% |
|
isobutylbenzene (EC no.: 208-706-2; CAS no.: 538-93-2) |
15.3% |
41.8% |
41.1% |
1.79% |
148 hours Reacted: 71.1% Advected: 28.9% |
|
p-cymene (EC no.: 202-796-7; CAS no.: 99-87-6) |
6.65% |
30.3% |
61.9% |
1.18% |
206 hours Reacted: 80.1% Advected: 19.9% |
|
m-cymene (EC no.: 208-617-9; CAS no.: 535-77-3) |
5.55% |
25.9% |
67.5% |
1.01% |
242 hours Reacted: 80.3% Advected: 19.7% |
|
cumene (EC no.: 202-704-5; CAS no.: 98-82-8) |
14.7% |
34.6% |
49.8% |
0.897% |
180 hours Reacted: 67.2% Advected: 32.8% |
|
propylbenzene (EC no.: 203-132-9; CAS no.: 103-65-1) |
13.8% |
31.5% |
53.8% |
0.93% |
198 hours Reacted: 66.5% Advected: 33.5% |
|
Release to air: Air: 1000 kg/hr Water: 0 kg/hr Soil: 0 kg/hr
|
n-Butylbenzene (EC no.: 203-209-7; CAS no.: 104-51-8) |
99.2% |
0.14% |
0.648% |
0.00701% |
30 hours Reacted: 70.2% Advected: 29.8% |
sec-butylbenzene (EC no.: 205-227-0; CAS no.: 135-98-8) |
99.3% |
0.127% |
0.563% |
0.00577% |
30.6 hours Reacted: 69.4% Advected: 30.4% |
|
tert-butylbenzene (EC no.: 202-632-4; CAS no.: 98-06-6) |
99.1% |
0.215% |
0.691% |
0.012% |
45 hours Reacted: 55.4% Advected: 44.6% |
|
isobutylbenzene (EC no.: 208-706-2; CAS no.: 538-93-2) |
99.6% |
0.0668% |
0.327% |
0.00285% |
29.9 hours Reacted: 70.2% Advected: 29.8% |
|
p-cymene (EC no.: 202-796-7; CAS no.: 99-87-6) |
99.1% |
0.202% |
0.688% |
0.00788% |
19.9 hours Reacted: 80.3% Advected: 19.7% |
|
m-cymene (EC no.: 208-617-9; CAS no.: 535-77-3) |
98.8% |
0.308% |
0.884% |
0.012% |
20.6 hours Reacted: 79.6% Advected: 20.4% |
|
cumene (EC no.: 202-704-5; CAS no.: 98-82-8) |
99.3% |
0.194% |
0.485% |
0.00503% |
36.5 hours Reacted: 63.7% Advected: 36.3% |
|
propylbenzene (EC no.: 203-132-9; CAS no.: 103-65-1) |
99.2% |
0.212% |
0.576% |
0.00626% |
38.5 hours Reacted: 61.8% Advected: 38.2% |
|
Release to water: Air 0 kg/hr Water 1000 kg/hr Soil 0 kg/hr |
n-Butylbenzene (EC no.: 203-209-7; CAS no.: 104-51-8) |
6.51% |
89% |
0.0425% |
4.44% |
208 hours Reacted: 67.9% Advected: 32.1% |
sec-butylbenzene (EC no.: 205-227-0; CAS no.: 135-98-8) |
6.65% |
89.3% |
0.0378% |
4.05% |
208 hours Reacted: 67.4% Advected: 32.4% |
|
tert-butylbenzene (EC no.: 202-632-4; CAS no.: 98-06-6) |
9.37% |
85.8% |
0.0653% |
4.77% |
276 hours Reacted: 50.5% Advected: 49.5% |
|
isobutylbenzene (EC no.: 208-706-2; CAS no.: 538-93-2) |
6.6% |
89.6% |
0.0216% |
3.83% |
207 hours Reacted: 67.9% Advected: 32.1% |
|
p-cymene (EC no.: 202-796-7; CAS no.: 99-87-6) |
4.42% |
92% |
0.0307% |
3.59% |
202 hours Reacted: 72.4% Advected: 27.6% |
|
m-cymene (EC no.: 208-617-9; CAS no.: 535-77-3) |
4.51% |
91.9% |
0.0403% |
3.58% |
204 hours Reacted: 72.1% Advected: 27.9% |
|
cumene (EC no.: 202-704-5; CAS no.: 98-82-8) |
7.96% |
89.7% |
0.0389% |
2.33% |
207 hours Reacted: 64.9% Advected: 35.1% |
|
propylbenzene (EC no.: 203-132-9; CAS no.: 103-65-1) |
8.29% |
89% |
0.0481% |
2.63% |
209 hours Reacted: 64% Advected: 36% |
|
Release to soil: Air 0 kg/hr Water 0 kg/hr Soil 1000 kg/hr |
n-Butylbenzene (EC no.: 203-209-7; CAS no.: 104-51-8) |
5.1% |
0.131% |
94.8% |
0.00654% |
381hours Reacted: 80.5% Advected: 19.5% |
sec-butylbenzene (EC no.: 205-227-0; CAS no.: 135-98-8) |
6.3% |
0.144% |
93.5% |
0.00651% |
336 hours Reacted: 78.8% Advected: 21.2% |
|
tert-butylbenzene (EC no.: 202-632-4; CAS no.: 98-06-6) |
8.94% |
0.241% |
90.8% |
0.0134% |
424 hours Reacted: 62% Advected: 38% |
|
isobutylbenzene (EC no.: 208-706-2; CAS no.: 538-93-2) |
11.9% |
0.143% |
88% |
0.00611% |
207 hours Reacted: 75.4% Advected: 24.6% |
|
p-cymene (EC no.: 202-796-7; CAS no.: 99-87-6) |
3.14% |
0.173% |
96.7% |
0.00675% |
395 hours Reacted: 87.5% Advected: 12.5% |
|
m-cymene (EC no.: 208-617-9; CAS no.: 535-77-3) |
2.14% |
0.176% |
97.7% |
0.00686% |
501 hours Reacted: 89.2% Advected: 10.8% |
|
cumene (EC no.: 202-704-5; CAS no.: 98-82-8) |
9.03% |
0.265% |
90.7% |
0.00689% |
297 hours Reacted: 73.1% Advected: 26.9% |
|
propylbenzene (EC no.: 203-132-9; CAS no.: 103-65-1) |
7.59% |
0.233% |
92.2% |
0.0069% |
347 hours Reacted: 73.6% Advected: 26.4% |
|
Release to air and water: Air 1000 kg/hr Water 1000 kg/hr Soil 0 kg/hr |
n-Butylbenzene (EC no.: 203-209-7; CAS no.: 104-51-8) |
18.2% |
77.8% |
0.119% |
3.88% |
119 hours Reacted: 69% Advected: 31% |
sec-butylbenzene (EC no.: 205-227-0; CAS no.: 135-98-8) |
18.5% |
77.8% |
0.105% |
3.53% |
119 hours Reacted: 68.6% Advected: 31.4% |
|
tert-butylbenzene (EC no.: 202-632-4; CAS no.: 98-06-6) |
21.9% |
73.8% |
0.153% |
4.1% |
160 hours Reacted: 52.9% Advected: 47.1% |
|
isobutylbenzene (EC no.: 208-706-2; CAS no.: 538-93-2) |
18.4% |
78.2% |
0.0603% |
3.34% |
118 hours Reacted: 69% Advected: 31% |
|
p-cymene (EC no.: 202-796-7; CAS no.: 99-87-6) |
12.9% |
83.8% |
0.0894% |
3.27% |
111 hours Reacted: 76.4% Advected: 23.6% |
|
m-cymene (EC no.: 208-617-9; CAS no.: 535-77-3) |
13.2% |
83.5% |
0.118% |
3.25% |
112 hours Reacted: 75.9% Advected: 24.1% |
|
cumene (EC no.: 202-704-5; CAS no.: 98-82-8) |
21.6% |
76.3% |
0.106% |
1.98% |
122 hours Reacted: 64.3% Advected: 35.7% |
|
propylbenzene (EC no.: 203-132-9; CAS no.: 103-65-1) |
22.4% |
75.2% |
0.13% |
2.22% |
124 hours Reacted: 62.9% Advected: 37.1% |
|
Release to air and soil: Air 1000 kg/hr Water 0 kg/hr Soil 1000 kg/hr |
n-Butylbenzene (EC no.: 203-209-7; CAS no.: 104-51-8) |
12% |
0.132% |
87.9% |
0.00657% |
205 hours Reacted: 75.4% Advected: 24.6% |
sec-butylbenzene (EC no.: 205-227-0; CAS no.: 135-98-8) |
14.1% |
0.142% |
85.8% |
0.00645% |
183 hours Reacted: 74.2% Advected: 25.8% |
|
tert-butylbenzene (EC no.: 202-632-4; CAS no.: 98-06-6) |
17.6% |
0.239% |
82.2% |
0.0133% |
234 hours Reacted: 58.7% Advected: 41.3% |
|
isobutylbenzene (EC no.: 208-706-2; CAS no.: 538-93-2) |
23% |
0.133% |
76.9% |
0.0057% |
118 hours Reacted: 72.8% Advected: 27.2% |
|
p-cymene (EC no.: 202-796-7; CAS no.: 99-87-6) |
7.74% |
0.174% |
92.1% |
0.0068% |
208 hours Reacted: 83.9% Advected: 16.1% |
|
m-cymene (EC no.: 208-617-9; CAS no.: 535-77-3) |
5.96% |
0.181% |
93.9% |
0.00707% |
261 hours Reacted: 84.4% Advected: 15.6% |
|
cumene (EC no.: 202-704-5; CAS no.: 98-82-8) |
18.9% |
0.257% |
80.8% |
0.00668% |
167 hours Reacted: 68.4% Advected: 31.6% |
|
propylbenzene (EC no.: 203-132-9; CAS no.: 103-65-1) |
16.7% |
0.231% |
83% |
0.00684% |
193 hours Reacted: 67.7% Advected: 32.3% |
|
Release to water and soil: Air 0 kg/hr Water 1000 kg/hr Soil 1000 kg/hr |
n-Butylbenzene (EC no.: 203-209-7; CAS no.: 104-51-8) |
5.59% |
31.6% |
61.3% |
1.58% |
295 hours Reacted: 74.5% Advected: 25.8% |
sec-butylbenzene (EC no.: 205-227-0; CAS no.: 135-98-8) |
6.44% |
34.2% |
57.8% |
1.55% |
272 hours Reacted: 73.2% Advected: 26.8% |
|
tert-butylbenzene (EC no.: 202-632-4; CAS no.: 98-06-6) |
9.11% |
34% |
55% |
1.89% |
350 hours Reacted: 56.2% Advected: 43.8% |
|
isobutylbenzene (EC no.: 208-706-2; CAS no.: 538-93-2) |
9.24% |
44.8% |
44.1% |
1.92% |
207 hours Reacted: 71.6% Advected: 28.4% |
|
p-cymene (EC no.: 202-796-7; CAS no.: 99-87-6) |
3.57% |
31.3% |
63.9% |
1.22% |
299 hours Reacted: 80% Advected: 20% |
|
m-cymene (EC no.: 208-617-9; CAS no.: 535-77-3) |
2.82% |
26.7% |
69.5% |
1.04% |
352 hours Reacted: 80.6% Advected: 19.4% |
|
cumene (EC no.: 202-704-5; CAS no.: 98-82-8) |
8.59% |
37% |
53.4% |
0.962% |
252 hours Reacted: 69% Advected: 31% |
|
propylbenzene (EC no.: 203-132-9; CAS no.: 103-65-1) |
7.85% |
33.6% |
57.5% |
0.994% |
278 hours Reacted: 68.8% Advected: 31.2% |
|
Applicant's summary and conclusion
- Conclusions:
- The data on environmental distribution of butylbenzene components obtained from the level III fugacity model suggest that this substance will not persist in the environment and depending on various emission scenarios, most of butylbenzene components will be degraded by both biotic and abiotic mechanisms and the rest will be physically removed (advected) from the environment.
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