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Diss Factsheets
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EC number: 228-602-0 | CAS number: 6303-30-6
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2020
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
Individual model MPBPWIN included in the Estimation Programs Interface (EPI) Suite.
2. MODEL (incl. version number)
MPBPWIN v1.43 included in EPI Suite v 4.11, 2000 - 2012
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
A SMILES notation was entered in the initial data entry screen. In the structure window, the molecular weight, structural formula and the structure of the input SMILES notation is shown. If available, experimental determined values of melting point and boiling point are taken for input.
As the substance is a liquid, the model uses the boiling point for estimation.
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: Vapour pressure
- Unambiguous algorithm:
- Defined domain of applicability: i. Molecular weight:
With a molecular weight of 210.21 g/mol the substance is within the range of the training set (16 – 943 g/mol).
ii. Structural fragment domain:
Regarding the structure, the fragment descriptors used by the program for the estimation of the boiling point are complete and listed in Appendix F of the MPBPWIN help file.
5. APPLICABILITY DOMAIN
a. Domains:
i. Molecular weight:
With a molecular weight of 210.21 g/mol the substance is within the range of the training set (16 – 943 g/mol).
ii. Structural fragment domain:
Regarding the structure, the fragment descriptors used by the program for the estimation of the boiling point are complete and listed in Appendix F of the MPBPWIN help file.
iii. Mechanism domain: No information available
iv. Metabolic domain, if relevant: Not relevant.
b. Structural analogues: No information available.
c. Considerations on structural analogues: No information available.
The substance is not highly complex and the rules applied for the substance appears appropriate. An individual uncertainty for the investigated substance is not available.
6. ADEQUACY OF THE RESULT
Regulatory purpose:
The data may be used under any regulatory purpose.
Approach for regulatory interpretation of the model result:
If no experimental data are available, the estimated value may be used to fill data gaps needed for hazard and risk assessment. Further the value is used for other calculations.
Outcome:
The prediction of vapour pressure yields a useful result for further evaluation.
Conclusion:
The result is considered as useful for regulatory purposes. - Reason / purpose for cross-reference:
- reference to other study
- Reason / purpose for cross-reference:
- reference to other study
- Guideline:
- other: ECHA Guidance Document R.6 "QSARs and grouping of chemicals" (2008)
- GLP compliance:
- no
- Type of method:
- other:
- Specific details on test material used for the study:
- -Empirical formula: C8H19O4P
-SMILES: C(C)(C)COP(=O)(O)OCC(C)C
-Purity: not applicable for in silico study - Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 4.85 Pa
- Conclusions:
- The vapour pressure (VP) of Diisobutyl phosphate (bis(2-methylpropoxy)phosphinic acid) was estimated to be: 4.85 Pa at 25°C.
- Executive summary:
The vapour pressure (VP) of Diisobutyl phosphate (bis(2-methylpropoxy)phosphinic acid) was predicted using the Estimation Program Interface EPI Suite version 4.11. The following parameters were taken for calculation:
• Melting point: < - 100°C (experimentally determined)
• Boiling point: 210°C at 1013 hPa (experimentally determined)
Using the modified Grain method, the vapour pressure was estimated to be: 4.85 Pa at 25°C.
Reference
Description of key information
Key value for chemical safety assessment
- Vapour pressure:
- 4.85 Pa
- at the temperature of:
- 25 °C
Additional information
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.