Registration Dossier
Registration Dossier
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: 949-147-0 | CAS number: 1041263-42-6
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- It is not possible to conduct this study on the test material as it is hydrolytically unstable. Modelled data are being provided.
Data source
Reference
- Reference Type:
- other: Modelling results
- Title:
- EPISUITE Modelling of Tris 2-Propylheptyl Phosphite
- Author:
- U.S. EPA
- Bibliographic source:
- U.S. EPA EPISUITE Model
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- modelled results
- GLP compliance:
- no
- Type of method:
- other: modelled results
Test material
- Reference substance name:
- tris(2-propylheptyl) phosphite
- EC Number:
- 949-147-0
- Cas Number:
- 1041263-42-6
- Molecular formula:
- C30H63O3P
- IUPAC Name:
- tris(2-propylheptyl) phosphite
- Reference substance name:
- Di(2-propylheptyl) (4-methyl-2-propylhexyl) phosphite
- Molecular formula:
- C30H63O3P
- IUPAC Name:
- Di(2-propylheptyl) (4-methyl-2-propylhexyl) phosphite
- Reference substance name:
- Di(2-propylheptyl) (5-methyl-2-propylhexyl) phosphite
- Molecular formula:
- C30H63O3P
- IUPAC Name:
- Di(2-propylheptyl) (5-methyl-2-propylhexyl) phosphite
- Reference substance name:
- Tris C10 alkyl phosphite (other isomers not specified)
- Molecular formula:
- C30H63O3P
- IUPAC Name:
- Tris C10 alkyl phosphite (other isomers not specified)
- Test material form:
- liquid
- Details on test material:
- Tri(2-propylheptyl)phosphite (Lankromark LE737) Batch 3309/166
Constituent 1
impurity 1
impurity 2
impurity 3
Results and discussion
Water solubility
- Water solubility:
- 0 mg/L
- Conc. based on:
- not specified
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- not measured/tested
- Remarks:
- Not possible to measure the water solubility of this substance as it is hydrolytically unstable.
- Details on results:
- Water Sol from Kow (WSKOW v1.42) Results:
========================================
Water Sol: 2.109e-008 mg/L
SMILES : CCCCCC(COP(OCC(CCC)CCCCC)OCC(CCC)CCCCC)CCC
CHEM : Tris 2-propylheptyl phosphite
MOL FOR: C30 H63 O3 P1
MOL WT : 502.81
---------------------------------- WSKOW v1.42 Results ------------------------
Log Kow (estimated) : 12.31
Log Kow (experimental): not available from database
Log Kow used by Water solubility estimates: 12.31
Equation Used to Make Water Sol estimate:
Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction
(used when Melting Point NOT available)
Correction(s): Value
-------------------- -----
No Applicable Correction Factors
Log Water Solubility (in moles/L) : -13.377
Water Solubility at 25 deg C (mg/L): 2.109e-008
Applicant's summary and conclusion
- Conclusions:
- Based on the EPISUITE model, the water solubility was estimated to be 2.109e-008 mg/L at 25 C.
- Executive summary:
Based on the EPISUITE model, the water solubility was estimated to be 2.109e-008 mg/L at 25 C.
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.
