Registration Dossier
Registration Dossier
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EC number: 240-714-1 | CAS number: 16669-27-5
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
- Model:
- calculation according to Mackay, Level III
Test material
- Reference substance name:
- Docosyl methacrylate
- EC Number:
- 240-714-1
- EC Name:
- Docosyl methacrylate
- Cas Number:
- 16669-27-5
- Molecular formula:
- C26H50O2
- IUPAC Name:
- docosyl methacrylate
Constituent 1
Study design
- Test substance input data:
- CAS Number: 16669-27-5
SMILES : O=C(C(C)C)OCCCCCCCCCCCCCCCCCCCCCC
CHEM : 2-Propenoic acid, 2-methyl-, docosyl ester
MOL FOR: C26 H52 O2
MOL WT : 396.70
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : 37.70
Vapor Pressure (mm Hg) : 0.00045
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Results and discussion
Percent distribution in media
- Other distribution results:
- Using a valid modeling approach, if docosyl methacrylate is released mainly into air, it remains in the air. And if it is released into water, it also mainly remains in the water.
Any other information on results incl. tables
Distribution modelling; Level III Fugacity Model (Full-Output):
CAS Number: 16669-27-5
SMILES : O=C(C(C)C)OCCCCCCCCCCCCCCCCCCCCCC
CHEM : 2-Propenoic acid, 2-methyl-, docosyl ester
MOL FOR: C26 H52 O2
MOL WT : 396.70
EPI SUMMARY (v4.10)
Henry's LC : 0.488 atm-m3/mole (Henrywin program)
Vapor Press : 0.00045 mm Hg (user-entered)
Liquid VP : 0.000601 mm Hg (super-cooled)
Melting Pt : 37.7 deg C (user-entered)
Log Kow : 11.6 (Kowwin program)
Soil Koc : 2.72e+006 (KOCWIN MCI method)
Release to air:
|
Mass Amount |
Half-Life |
Emissions |
|
(percent) |
(hr) |
(kg/hr) |
Air |
94.3 |
8.3 |
1000 |
Water |
0.153 |
360 |
0 |
Soil |
5.54 |
720 |
0 |
Sediment |
0.000631 |
3.24e+003 |
0 |
Persistence Time: 11.3 hr
Relaese to water:
|
Mass Amount |
Half-Life |
Emissions |
|
(percent) |
(hr) |
(kg/hr) |
Air |
0.000137 |
8.3 |
0 |
Water |
99.6 |
360 |
1000 |
Soil |
8.02e-006 |
720 |
0 |
Sediment |
0.411 |
3.24e+003 |
0 |
Persistence Time: 343 hr
Applicant's summary and conclusion
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
