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EC number: 248-983-7 | CAS number: 28348-53-0
Endpoint summary
Administrative data
Description of key information
Additional information
Physical and chemical properties
sodium cumenesulphonate
1.Appearance
Sodium cumenesulphonate is a solid organic substance (white), odourless at 20°C and 1013 hPa.
2.Melting point
Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Melting Point of 235.58 deg C (Weighted Value) was established.
3.Boiling point
Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Boiling Point of 549.19 deg C (estimated) was established.
4.Specific gravity
0.61
5.Vapour pressure
A QSAR method predicts the vapour pressure of this substance to be 1.09E-009 Pa at 25C.
6.Water solubility
Substance is predicted by QSAR method (EPI Suite v 4.1/WSKOW v1.42 ) to be very soluble ( 634600 mg/l) ( >1000 mg/l) in water.
7.Partition co-efficient
A reliable QSAR method predicts a value for the partition co-efficient (logKow) of -1.50 for this substance.
8.Hydrolysis as a function of pH
No hydrolysable groups are present in the sodium cumenesulphonate.The substance is readily biodegradable
9.Adsorption/desorption
The log of the adsorption coefficient (KOC) of sodium cumenesulphonate was estimated to be log KOC = 1.6805 which is equal to a KOC value of 47.92 using the KOCWIN v2.00 QSARmethod..
10.Dissociation constant
A dissociation constant value of <2.0 was obtained using an accepted calculation method. The result is considered to be reliable
11.Flammability
From the compositional description and the structural formula given, it can be concluded that this substance CAS 28348-53-0,EC no.: 248-983-7 is not pyrophoric (will not ignite or emit flammable gases on contact with air, damp air, or water) nor does it exhibit the property of flammability (will not easily burn when ignited or contribute to the combustion of other materials). There are no functional groups or other structural alerts present that would support any concern that this substance should be classified as dangerous according to the criteria for evaluating flammability, which is furthermore confirmed by long term handling experience.
12. Flash point
Flash-point Testing does not need to be conducted for substances that are solids or gases at room temperature. According the Adaptations of the standard physico-chemical testing requirements under REACH. Sodium cumenesulphonate is solid at room temperature. According “ANNEX VII - STANDARD INFORMATION REQUIREMENTS FOR SUBSTANCES MANUFACTURED OR IMPORTED IN QUANTITIES OF ONE TONNE OR MORE” AND the Adaptations of the standard physico-chemical testing requirements under REACH, the study does not need to be conducted if the substance is solid at room temperature. The study does not need to be conducted if: — the substance is inorganic, or — the substance only contains volatile organic components with flash-points above 100 °C for aqueous solutions, or — the estimated flash-point is above 200 °C, or — the flash-point can be accurately predicted by interpolation from existing characterised materials. - Testing does not need to be conducted for substances that are solids or gases at room temperature. Therefore testing for Flash-point does not need to be performed. Ref. 1) European Chemicals Agency (ECHA), Guidance for the implementation of REACH, Guidance on information requirements and chemical safety assessment, Chapter R.7a: Endpoint specific guidance, May 2008, pages 168-171.
13.Explosiveness
From the compositional description and the structural formula given, it can be concluded that this substance CAS 28348-53-0, (EINECS) 248-983-7 does not exhibit explosive properties (will not detonate or deflagrate, under conditions of excessive heating with or without confinement, impact, or friction to produce heat and or gas). There are no functional groups or other structural alerts associated with explosive properties or tendencies that would indicate that this substance will manifest explosive properties. Similarly, the calculated Oxygen Balance is less than -200 suggesting that testing need not be conducted and that a negative result can be predicted. Thus, this substance should not be classified as dangerous according to the criteria for explosivity, which is furthermore confirmed by long term handling experience.
15.Viscosity
The study does not need to be conducted because the substance is solid.
16.Decomposition products
Decomposes on heating. This produces toxic and irritating fumes (sulfur oxides). Reacts with acids and acid fumes. This produces toxic and irritating fumes (sulfur oxides).
17.Autoignition temperature
From the compositional description, the structural formula given, it can be concluded that it is not necessary to evaluate the ignition temperature of this substance by either the Self- or Auto-Ignition testing criteria indicated in the TGD.
There are no functional groups or other structural alerts present that indicate that this substance would spontaneously ignite in air when exposed to a hot surface and thus should not be classified as dangerous with respect to this endpoint.
This empirical evaluation is furthermore confirmed by long term handling experience. The study is therefore considered scientifically unjustified.
Therefore testing for Auto flammabilitydoes not need to be performed.
18.Reactivity
Reacts with acids and acid fumes. This produces toxic and irritating fumes (sulfur oxides).
19.Oxidizing properties
From the compositional description and the structural formula given, it can be concluded that this substance CAS 2 .: 28348-53-0,EC no.: 248-983-7 does not exhibit oxidizing properties (will not cause or contribute to the combustion of other materials by virtue of its own inherent oxidation or reduction potential). There are no functional groups or other structural alerts present that would indicate that this substance would promote oxidation and thus should not be classified as dangerous according to the criteria for evaluating oxidizing properties. Furthermore, this is confirmed by long term handling experience.
Table Summary of physico-chemical properties
Property |
Value |
References |
Physical state |
Solid |
CRC Handbook, 2006 |
Substance type |
Organic |
CRC Handbook, 2006 |
Color |
white |
CRC Handbook, 2006 |
Molecular Weight |
222.24g/mol |
CRC Handbook, 2006 |
Melting point |
235.58 °C (calculated) |
US EPA, 2014
|
Boiling point |
549.19 °C (calculated) |
US EPA, 2014
|
Vapour pressure |
1.09E-009 Pa at 25C. |
US EPA, 2014 |
Water solubility |
634600 mg/l (calculated)
|
US EPA, 2014
|
Dissociation constant (pKa) |
<2 (calculated) |
Hilal SH, 1995 |
Partition coefficient n-octanol/water (log value) |
log Kow= -1.50(calculated)
|
US EPA, 2014
|
Half-life in air |
3.277days = 39.329 hours |
US EPA, 2014 |
Henry Law Constant |
4.91E-009 atm-m3/mole (4.98E-004 Pa-m3/mole) |
USEPA, 2011 |
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