Registration Dossier
Registration Dossier
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EC number: 202-086-7 | CAS number: 91-64-5
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- Epiweb 4.1
- Release year:
- 2 012
- Media:
- other: air-water-soil-sediment
Test material
- Reference substance name:
- Coumarin
- EC Number:
- 202-086-7
- EC Name:
- Coumarin
- Cas Number:
- 91-64-5
- Molecular formula:
- C9H6O2
- IUPAC Name:
- 2H-chromen-2-one
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0.53
- Water (%):
- 24.8
- Soil (%):
- 74.5
- Sediment (%):
- 0.169
Any other information on results incl. tables
Level III Fugacity Model (Full-Output):
=======================================
Chem Name : 2H-1-Benzopyran-2-one
Molecular Wt: 146.15
Henry's LC : 9.92e-008 atm-m3/mole (Henry database)
Vapor Press : 0.000657 mm Hg (Mpbpwin program)
Liquid VP : 0.000794 mm Hg (super-cooled)
Melting Pt : 33.3 deg C (Mpbpwin program)
Log Kow : 1.39 (Kowwin program)
Soil Koc : 125 (KOCWIN MCI method)
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.53 7.83 1000
Water 24.8 360 1000
Soil 74.5 720 1000
Sediment 0.169 3.24e+003 0
Fugacity Reaction Advection Reaction Advection
(atm) (kg/hr) (kg/hr) (percent) (percent)
Air 1.35e-011 716 80.9 23.9 2.7
Water 1.29e-012 730 379 24.3 12.6
Soil 1.3e-011 1.09e+003 0 36.5 0
Sediment 1.09e-012 0.551 0.0515 0.0184 0.00172
Persistence Time: 509 hr
Reaction Time: 601 hr
Advection Time: 3.32e+003 hr
Percent Reacted: 84.7
Percent Advected: 15.3
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 7.833
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 3.016 (weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
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.
