Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 203-916-0 | CAS number: 111-86-4
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:
- 3 (not reliable)
- Rationale for reliability incl. deficiencies:
- other: Acceptable calculation method; however, no detailed description of QSAR model (QMRF) and no detailed justification of applicability and relevance of the model (QPRF) available.
Data source
Reference
- Reference Type:
- other: Mackay calculation
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Level I Version 3.0
- Release year:
- 2 004
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Octylamine
- EC Number:
- 203-916-0
- EC Name:
- Octylamine
- Cas Number:
- 111-86-4
- Molecular formula:
- C8H19N
- IUPAC Name:
- octan-1-amine
Constituent 1
Study design
- Test substance input data:
- The following physicochemical properties of the substance were used to calculate the distribution:
- Molar mass: 129.25 g/mol
- Data temperature: 20 °C
- Water solubility: 320 g/m³ (at 20 °C, pH 7-11; OXEA, 2009, 09-72036.1)
- Vapour pressure: 81 Pa (at 20 °C; BASF AG, 1993, BRU 93.2986)
- log Pow: 3.46 (mean of 3 experimental values (IUCLID Ch. 4.7))
- Melting point: 2 °C (OXEA, 2009, 20081104151229)
- Henry´s law constant: 32.7 Pa*m³/mol (Mackay Level I) - Environmental properties:
- Volume Density Org. C Fish lipid
(m³) (kg/m³) (g/g) (g/g)
air 6.0E+09 1.21*
water 7.0E+06 1000
soil 45000 1500 0.02
sediment 21000 1300 0.05
susp. part. 35.0 1500 0.167
fish 7.0 1000 0.05
aerosole 0.120 1500
* 1.21 kg/m³ at data temperature of 20 °C; 1.19 at data temperature 25 °C
Results and discussion
Percent distribution in media
- Air (%):
- 88.7
- Water (%):
- 7.71
- Soil (%):
- 1.76
- Sediment (%):
- 1.78
- Susp. sediment (%):
- 0.011
- Biota (%):
- 0.001
- Aerosol (%):
- 0
Any other information on results incl. tables
Over time, the uncharged substance will preferentially distribute into the compartments air (88.7%) and water (7.7%).
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.
