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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 225-202-8 | CAS number: 4712-55-4
- 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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_physical-and-chemical-properties.png)
Melting point / freezing point
Administrative data
- Endpoint:
- melting point/freezing point
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2018
- 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
- Remarks:
- The EPISuite model is considered to be a well-developed model. The chemistry appears to be within the domains of the model.
- Justification for type of information:
- Modelled data using acceptable model.
Data source
Reference
- Reference Type:
- other: modelled data
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Modelled data using acceptable model
- GLP compliance:
- no
- Type of method:
- other: modelled data
Test material
- Reference substance name:
- Diphenyl phosphonate
- EC Number:
- 225-202-8
- EC Name:
- Diphenyl phosphonate
- Cas Number:
- 4712-55-4
- Molecular formula:
- C12H11O3P
- IUPAC Name:
- diphenyl phosphonate
- Test material form:
- liquid
Constituent 1
Results and discussion
Melting / freezing point
- Melting / freezing pt.:
- 81.72 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- not measured/tested
Any other information on results incl. tables
MPBPVP (v1.43) Program Results:
===============================
Experimental Database Structure Match:
Name : Phosphonic acid, diphenyl ester
CAS Num : 004712-55-4
Exp MP (deg C): 12
Exp BP (deg C): ---
Exp VP (mm Hg): ---
SMILES : O=P(Oc1ccccc1)(Oc2ccccc2)
CHEM : Diphenyl Phosphonate
MOL FOR: C12 H11 O3 P1
MOL WT : 234.19
------------------------ SUMMARY MPBVP v1.43 --------------------
Boiling Point: 346.13 deg C (Adapted Stein and Brown Method)
Melting Point: 75.00 deg C (Adapted Joback Method)
Melting Point: 88.44 deg C (Gold and Ogle Method)
Mean Melt Pt : 81.72 deg C (Joback; Gold,Ogle Methods)
Selected MP: 81.72 deg C (Mean Value)
Applicant's summary and conclusion
- Conclusions:
- The modelled melting point is 81.72 C at 1 atm.
- Executive summary:
The modelled results are as follows:
MPBPVP (v1.43) Program Results:
===============================
Experimental Database Structure Match:
Name : Phosphonic acid, diphenyl ester
CAS Num : 004712-55-4
Exp MP (deg C): 12
Exp BP (deg C): ---
Exp VP (mm Hg): ---
SMILES : O=P(Oc1ccccc1)(Oc2ccccc2)
CHEM : Diphenyl Phosphonate
MOL FOR: C12 H11 O3 P1
MOL WT : 234.19
------------------------ SUMMARY MPBVP v1.43 --------------------
Boiling Point: 346.13 deg C (Adapted Stein and Brown Method)
Melting Point: 75.00 deg C (Adapted Joback Method)
Melting Point: 88.44 deg C (Gold and Ogle Method)
Mean Melt Pt : 81.72 deg C (Joback; Gold,Ogle Methods)
Selected MP: 81.72 deg C (Mean Value)-------+-----+--------------------+----------+---------
TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 2 | -O- (nonring) | 22.23 | 44.46
Group | 1 | O=P< | 50.00 | 50.00
Group | 10 | CH (aromatic) | 8.13 | 81.30
Group | 2 | -C (aromatic) | 37.02 | 74.04
* | | Equation Constant | | 122.50
=============+====================+==========+=========
RESULT | MELTING POINT in deg Kelvin | 372.30
Special-limit| MELTING POINT in deg Kelvin | 348.16
| MELTING POINT in deg C | 75.00
-------------------------------------------------------
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.
![ECHA](/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/echa_logo.png)