Registration Dossier
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EC number: 430-380-7 | CAS number: 445409-27-8
Endpoint summary
Administrative data
Description of key information
Additional information
State of substance:
Molyvan 855 Concentrate is a dark brown paste at 20°C and 101.3kPa.
Melting/Freezing Point (Pour Point)
Key study
In an EU Method A.1 study, conducted according to GLP, the melting point of the Molyvan 855 Concentrate is 295 +/- 3K at 101.3 kPa (SafePharm Laboratories Limited, 1998).
Boiling Point
Key study:
In an EU Method A.2 study, conducted according to GLP, Molyvan 855 Concentrate decomposed from approximately 365 K at 102 kPa, prior to any boiling. Given the chemical structure(s) of Molyvan 855 Concentrate, the fact that the substance is non-volatile, and as such the vapour pressure study yielded a limit value, the boiling temperature is estimated to be greater than 360 deg C (> 633 K) (SafePharm Laboratories Limited, 1998).
Relative Density
Key study
In an EU Method A.3 study, conducted according to GLP, the relative density of Molyvan 855 Concentrate is 1.09 at 21.5 +/- 0.5 deg C. (SafePharm Laboratories Limited, 1998).
Particle size
According to 7.14 Column 2 Annex VII of Regulation (EC) 1907/2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), the granulometry (particle size) of a substance does not need to be conducted if the substance is marketed, or used, in the EU in a non solid or granular form. Molyvan 855 is a paste at room temperature and is marketed in the EU in a liquid form (mixed with process oil); therefore, this endpoint is waived.
Vapour Pressure
Key study
In an EU Method A.4 109 study, conducting according to GLP, the vapour pressure of Molyvan 855 Concentrate is less than 4.2E-04 Pa at 25ºC (SafePharm Laboratories Limited, 1997).
Partition Coefficient
Key study
The key study conducted in accordance with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 under GLPreported a Log Pow range of <0.3 to 6.5. Approximately 51.6% of the quantitated test item constituents had a Log Pow of <3.0 (using area normalization), and 64.8% had a Log Pow of <4.5 (using area normalization). Based upon the results of the key hydrolysis data, the registered substance will quickly be hydrolysed. A representative limit Log Pow value of 4.5 is therefore considered appropriate for Molyvan 855. (Harlan Laboratories, Ltd, 2011
Supporting study
In a study conducted in accordance with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and in a GLP laboratory, the partition coefficient was estimated, based on the solubility in n-octanol and water, to be greater than 2.80x10^4, log10 Pow >4.45. This result is of limited value as analysis was by visual inspection, which given the complex reaction mixture nature of the substance is intrinsically of limited reliability. (SafePharm Laboratories, Ltd. 1998).
Supporting study
As only limit values could be obtained experimentally for the majority of the substance constituents, the partition coefficient wasestimated for the proposed dominant test item constituents using KOWWIN™, version 1.68, September 2010, © 2000 U.S. EPA, for the purpose of estimating an adsorption coefficient. The resulting estimations of partition coefficient (Log Pow) range from 4.8 to 6.6. Less abundant, higher chain length reaction products, as well as products containing multiple coconut oil alkyl residue groups, however, would potentially present even higher partition coefficient values.
Water solubility
Key study
Experimental evaluation of the water solubility resulted in a limit value (actual value <1.25 mg/L, slightly soluble) based solely on a visual assessment. Due to the limitations of the available experimental methods for this complex reaction mixture, a more accurate value cannot be determined experimentally. While subsequent computer modeling of individual components indicates that the substance is more likely in the “insoluble” classification range, this study provides a maximum limit of functional solubility in aqueous systems.
Supporting study
Computer modeling of the water solubility of individual substance components based on quantitative structure activity relationships, QSAR (WSKOWWIN™ version 1.42, September 2010, © 2000 U.S. Environmental Protection Agency), resulted in a majority of the estimated values being within the “insoluble” classification range (actual values 0.005 to 0.21 mg/L). The less abundant, higher chain length reaction products, as well as products containing multiple coconut oil alkyl residue groups, are expected to be even less soluble in water.
Surface tension
According to 7.6. Column 2 Annex VII of Regulation (EC) 1907/2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), the surface tension study needs only be conducted if surface activity is expected based on the structure or is a desired property of the substance. Based on its structure, Molyvan 855, which is a paste, is not expected to have surface activity; therefore, this endpoint is waived.
Flash point
Key study
In an ASTM D6450 (closed cup) study, the flash point of Molyvan 855 is 204 ºC (R.T. Vanderbilt Company, Inc. 2011).
Auto flammability
Key study
In an EU Method A.15 study, conducted according to GLP, the auto-ignition temperature of Molyvan 855 is 382+/- 5
deg C at 98.22 -101.38 kPa. (SafePharm Laboratories, Ltd, 1997).
Flammability
Key study
In an EU Method A.10 study conducted under GLP conditions Molyvan 855 is confirmed to be not highly flammable (SafePharm Laboratories, Ltd., 1997)
Explosiveness
Key study
In an EU Guideline A.14 study, conducted under GLP conditions, Molyvan 855 is confirmed not to have explosive properties.(SafePharm Laboratories, Ltd. 1997)
Oxidising Properties
According to 7.13. Column 2 Annex VII of Regulation (EC) 1907/2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), the oxidising properties of a substance does not need to be conducted if the substance is incapable of reacting exothermically with combustible materials, for example on the basis of the chemical structure. The chemical structure of Molyvan 855, which is a paste, does not indicate that the test material will oxidise; therefore, this endpoint is waived.
Stability in organic solvents
According to 7.15 Column 1 of Annex IX of the European Union (EU) Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) 1907/2006 regulation, stability in organic solvents and identity of relevant degradation products study does not need to be conducted if the substance stability is not considered critical. The stability in organic solvents of Molyvan 855 is not considered critical as it is manufactured, supplied, processed and used exclusively in non-solvent mediums; therefore, this endpoint is waived.
Dissociation constant
According to 7.16 column 2 of Annex IX of the European Union (EU) Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) 1907/2006 regulation, the study does not need to be conducted if it is scientifically not possible to perform the test, for instance if the analytical method is not sensitive enough. Experimental evaluation of the water solubility resulted only in a limit value (actual value <1.25 mg/L, slightly soluble) due to the necessity to employ a visual method. Subsequent computer modeling of individual components, performed to provide definitive solubility data, resulted in a majority of the estimated values being within the “insoluble” classification range (actual values 0.005 to 0.21 mg/L). The titration method was, therefore, considered to be not applicable. The substance is a complex reaction mixture containing ionisable and non-ionisable forms; the non-ionisable forms degrade in water to yield the ionisable forms (DT50 is 10.3 days). It is not possible to accurately quantitate the respective forms using a spectrometric method. Due to the limited water solubility, the conductometric method is not appropriate as it is not possible to accurately measure the conductivity at different dilutions due to the potential formation of emulsions and microemulsions. This endpoint is waived, therefore, on the basis that it is not scientifically feasible to perform the test.
Viscosity
In accordance with ECHA Guidance document R.7.a (7.1.18 Viscosity) this study is being waived as the substance is a paste, which must be heated beyond the OECD Guideline test temperatures to become a liquid. The viscosity study cannot be performed under the conditions of the guideline and is not considered relevant for this substance based on its known physical chemical properties.
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