Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Diss Factsheets
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: 252-743-7 | CAS number: 35835-94-0
- 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:
- supporting study
- 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
EPISUITE v4.11
2. MODEL (incl. version number)
MPBPWIN v1.43 (September 2010)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Smiles code: P(CC(=O)(O))(c2ccccc2)(c3ccccc3)(c1ccccc1)CC
CAS: 35835-94-0
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
For detailed information about the used model please refer to the attached justification.
5. APPLICABILITY DOMAIN
For detailed information about the used model please refer to the attached justification.
6. ADEQUACY OF THE RESULT
For detailed information about the used model please refer to the attached justification. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Software tool(s) used including version: The Estimation Programs Interface (EPI) SuiteTM v4.1 - Model(s) used: MPBPWIN v1.43 (September 2010)
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- no
- Type of method:
- other: QSAR prediction MPBPWIN Program, Version 1.43, Syracuse Research Cor-poration
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: QSAR modified Grain method
- Conclusions:
- The present QSAR prediction was conducted with the EPISuite TM; MPBPWIN v1.43 software. The software uses three separate methods for vapour pressure prediction. However, the molecular weight is the main dose descriptor. The moelcular weight of Ethyltriphenylphosphonium acetate lies within the range of molecular weights obtained from the training sets. Thus, the prediction is considered to be reliable. The predicted vapour pressure of the test item is 1.08 exp-7 Pa at 25°C (modified Grain method).
As the substance is ionic, which is not considered by the model, the "real" vapour pressure is even lower. - Endpoint:
- vapour pressure
- Data waiving:
- study technically not feasible
- Justification for data waiving:
- other:
- Justification for type of information:
- The registration substance Ethyltriphenylphosphonium acetate (EtPPAAc) is manufactured as a mixture with methanol. After drying EtPPAAc, there are still relevant residues of methanol. These residues have a higher vapour pressure (VP) as EtPPAAc has (according to the QSAR estimation, the VP of EtPPAAc is very low. The QSAR estimation is documented as supporting study to this endpoint). As a consequence, the measurement of the VP of EtPPAAc is technically not feasable due to relevant residues of methanol.
Referenceopen allclose all
Boiling Point: 489.79 deg C (Adapted Stein and Brown Method)
Melting Point: 285.29 deg C (Adapted Joback Method)
Melting Point: 172.33 deg C (Gold and Ogle Method)
Mean Melt Pt : 228.81 deg C (Joback; Gold,Ogle Methods)
Selected MP: 194.92 deg C (Weighted Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 489.79 deg C (estimated))
(Using MP: 194.92 deg C (estimated))
VP: 1.72E-011 mm Hg (Antoine Method)
: 2.29E-009 Pa (Antoine Method)
VP: 8.12E-010 mm Hg (Modified Grain Method)
: 1.08E-007 Pa (Modified Grain Method)
VP: 2.2E-009 mm Hg (Mackay Method)
: 2.93E-007 Pa (Mackay Method)
Selected VP: 8.12E-010 mm Hg (Modified Grain Method)
: 1.08E-007 Pa (Modified Grain Method)
Subcooled liquid VP: 4.97E-008 mm Hg (25 deg C, Mod-Grain method)
: 6.62E-006 Pa (25 deg C, Mod-Grain method)
-------+-----+--------------------+----------+---------
TYPE | NUM | BOIL DESCRIPTION | COEFF| VALUE
-------+-----+--------------------+----------+---------
Group | 1 | -CH3 | 21.98 | 21.98
Group | 2 | -CH2- | 24.22 | 48.44
Group | 1 | -COOH (acid) | 169.83 | 169.83
Group | 1 | >P- | 43.75 | 43.75
Group | 15| CH (aromatic) | 28.53 | 427.95
Group | 3 | -C (aromatic) | 30.76 | 92.28
* | | Equation Constant| | 198.18
=============+====================+==========+=========
RESULT-uncorr| BOILING POINT in deg Kelvin | 1002.41
RESULT- corr | BOILING POINT in deg Kelvin | 762.95
| BOILING POINT in deg C | 489.79
-------------------------------------------------------
-------+-----+--------------------+----------+---------
TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 1 | -CH3 | -5.10 | -5.10
Group | 2 | -CH2- | 11.27 | 22.54
Group | 1 | -COOH (acid) | 155.50 | 155.50
Group | 1 | >P- | 30.00 | 30.00
Group | 15| CH (aromatic) | 8.13 | 121.95
Group | 3 | -C (aromatic) | 37.02 | 111.06
* | | Equation Constant| | 122.50
=============+====================+==========+=========
RESULT | MELTING POINT in deg Kelvin | 558.45
| MELTING POINT in deg C | 285.29
-------------------------------------------------------
Description of key information
Due to relevant residues of methanol in the dried test substance, the measurement is technically not feasible. The vapour pressure of the methanol residues will be higher than the very low vapour pressure of the test substance.
The vapour pressure of the test substance was estimated via QSAR and is about 10exp-7 Pa (supporting study).
This is further supported by data on a structurally related source substance: The vapour pressure of Methyltriphenylphosphonium chloride was determined according to Method A4 of Commission Directive 92/69/EEC (vapour pressure balance method). The estimated maximum value of vapour pressure was determined to be ≤ 2.2E-6 Pa at 25°C.
Key value for chemical safety assessment
- Vapour pressure:
- 0 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.