Registration Dossier
Registration Dossier
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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
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EC number: 225-878-4 | CAS number: 5131-66-8
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Valid without restriction
Data source
Materials and methods
- Model:
- calculation according to Mackay, Level III
Test material
- Reference substance name:
- 1-butoxypropan-2-ol
- EC Number:
- 225-878-4
- EC Name:
- 1-butoxypropan-2-ol
- Cas Number:
- 5131-66-8
- Molecular formula:
- C7H16O2
- IUPAC Name:
- 1-butoxypropan-2-ol
Constituent 1
Results and discussion
Any other information on results incl. tables
CHEMICAL PROPERTIES AND OTHER INPUT PARAMETERS:
Chemical Type: 1.
Molecular Mass (g/mol): 132.2.
Data Temperature (Degrees Celsius): 25.
LogKow: 1.15.
Water Solubility (g/m3): 55000.
Water Solubility (mol/m3): 416.0363.
Henry's Law Constant (Pa.m3/mol): 0.3917927.
Vapour Pressure (Pa): 163.
Melting Point (Degrees Celsius): -85.
Half-Life in Air (h): 9.2.
Half-Life in Water (h): 552.
Half-Life in Soil (h): 672.
Half-Life in Sediment (h): 2688.
Half-Life in Suspended Sediment (h): 2688.
Half-Life in Fish (h): 24.
Half-Life in Aerosol (h): 24.
RESULTS/PARTITION COEFFICIENTS
(All amounts are dimensionless, except where noted):
Log Octanol-Water Partition Coefficient: 1.15.
Octanol-Water Partition Coefficient: 14.12537.
Organic Carbon-Water Partition Coefficient (L/kg): 5.791404.
Air-Water Partition Coefficient: 1.58056200062368E-04.
Soil-Water Partition Coefficient: 0.277987375735796.
Soil-Water Partition Coefficient (L/kg): 0.115828073223248.
Sediment-Water Partition Coefficient: 0.555974751471592.
Sediment-Water Partition Coefficient (L/kg):
0.231656146446496.
Suspended Sediment-Water Partition Coefficient:
2.77987385076862.
Suspended Sediment-Water Partition Coefficient (L/kg):
1.15828077115359.
Fish-Water Partition Coefficient: 0.678018.
Fish-Water Partition Coefficient (L/kg): 0.678017973899841.
Aerosol-Water Partition Coefficient: 0.
Aerosol-Air Partition Coefficient: 36809.8156670924.
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.
