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EC number: 947-115-0
CAS number: -
The reaction mass of Disodium (sulphonatothio)acetate and sodium
chloride is a solid (white powder) but it is sold in solution. Disodium
(sulphonatothio)acetate and sodium chloride have a molecular weight of
216.133 g/mol and 58,4 g/mol respectively. The reaction mass has a log
Pow of <‑5 at 20°C and ‑1,73 at 25°C, a calculated vapor pressure of
<0,0001 Pa at 25°C, and a water solubility of 557 g/l. The reaction mass
decomposes (190°C) before melting.
Absorption is a property of a substance to diffuse across
biological membranes. Generally, oral absorption is favored for
molecular weights below 500 g/mol and log Pow values between -1 and 4.
In the gastrointestinal tract absorption of small water-soluble
molecules (molecular weight up to around 200 g/mol) occurs through
aqueous pores or carriage of such molecules across membranes with the
bulk passage of water. The reaction mass assessed in this report is a
salt and is therefore completely dissociated in water yielding sodium-,
chloride- and (sulphonatothio)acetate-ions. The molecular weight below
200 g/mol of each ion and the high water solubility of 557 g/l makes the
reaction mass favorable for absorption through aqueous pores or carriage
across membranes with the bulk passage of water. In animal studies after
oral dosing adverse effects like mortality, an impaired general state
and piloerection have occurred [1,2], thus there is definite proof for a
gastrointestinal absorption of the reaction mass after oral uptake.
Liquids and substances in solution are taken up more readily than
dry particulates via dermal absorption. If the reaction mass is applied
as powder, it would have to dissolve into the surface moisture of the
skin before an uptake could begin. The reaction mass is however marketed
in solution. In general, dermal absorption is favored by small molecular
weights and high water solubility of the substance. Log Pow values
between 1 and 4 favor dermal absorption, particularly if water
solubility is high. However, if water solubility is above 10 g/L and the
log P value is below 0, the substance may be too hydrophilic to cross
the lipid rich stratum corneum and dermal uptake will be low. The water
solubility of 557 g/l of the respective reaction mass is conferred with
a high dermal uptake, but together with a log Pow -5, it is too
hydrophilic to cross the lipid rich environment of stratum corneum. Also
in animal studies no skin irritation and no signs of systemic toxicity
after dermal application occurred  indicating that dermal absorption
will be low.
Based on the user manual for the internet version of the danish (Q)SAR
database (version 1 may 2005), dermal penetration/absorption can be
calculated with DERMWIN. According to this manual, with an Kp-value
below 0.001 the dermal penetration of the test substance is considered
to be very low (Kp-value calculated for disodium(sulphonatothio)
acetate: 5*10 -8). Thus, based on this calculation dermal absorption
compared to oral absorption is considered to be 10% as a worst case
estimate. This is supported by acute toxicity data. In an acute dermal
toxicity study at a dose of 2000 mg/kg bw no clinical signs and no
mortality were seen , whereas in an acute oral toxicity study at a
dose of 300 mg/kg bw all animals were found dead within one day . Therefore,
dermal uptake is considered negligible.
Absorption via the respiratory route also depends on
physico-chemical properties like vapor pressure, log Pow and water
solubility. The reaction mass has a low calculated vapor pressure of
<0,0001 Pa at 25°C. Therefore, inhalation of vapor of the respective
reaction mass is very unlikely to occur. Theoretically, if inhalation of
particles occurred during handling the reaction mass might be dissolved
in the mucus of the respiratory tract due to the high water solubility
(557 g/l). Due to the log Pow of <- 5 and molecular weights of each
single ion below 200, absorption through aqueous pores or carriage
across membranes with the bulk passage of water may occur. Absorption
directly across the respiratory tract epithelium by passive diffusion is
also possible but due to its hydrophilic character less likely to
happen. Thus, absorption in the respiratory tract will be limited based
on the low vapor pressure and the physico-chemical properties of the
In general, the smaller the molecule the broader is its
distribution. The dissolved sodium-, chloride and
(sulphonatothio)acetate-ions are relatively small molecules, indicating
a wide distribution. Also, the reaction mass is highly water soluble and
has a log Pow < -5 and therefore its extracellular concentration will be
higher than its intracellular concentration.
The (sulphonatothio)acetate-ion is highly water soluble and
therefore not favorable to undergo biotransformation by phase I enzymes
which is confirmed by predicted metabolism with the OECD QSAR Toolbox.
Based on the structure, theoretically conjugation of the acid group with
glucuronide can occur in phase II metabolism.
In general, urinary excretion in favored by low molecular weight
(below 300 g/mol in the rat) and good water solubility. Therefore, the
reaction mass is expected to be excreted mostly via urine.
The reaction mass is highly water soluble and the log P is <0
therefore it is unlikely that the reaction mass is going to accumulate
in tissues. Furthermore, the reaction mass is excreted via the urine.
 BASF Study on acute oral toxicity in rats 10A0318/14X508, 2016
 BASF Study on repeated oral toxicity in rats 88R0543/17S094,
 BASF Study on acute dermal toxicity in rats 11A0318/14X655,
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