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EC number: 275-532-1 | CAS number: 71487-01-9
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Administrative data
Description of key information
Read across data is presented on the "fragments" from which this substance is manufactured :-
Quaternary ammonium compounds, di-C12-18-alkyldimethyl, chlorides, CAS Number 68391-05-9, EC Number 269-924-1 and from sodium nitrite, CAS Number 7632-00-0, EC Number 231-555-9.
The justification in taking this approach is as follows :-
In the stomach the gastic juice is acidic, made up of acids and enzymes. In such an evironment it is highly unlikely that the quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites substance (s) will remain ionically bound to each other and thus are prone to dissociation in which case the released cation(s) will associate with other anions and the released anion will associate with cations. Thererfore, it is suggested read-across data from the corresponding quaternary ammonium compounds, di-C12-18-alkyldimethyl, chlorides is considered approriate in that such substances are likely to dissociate in a similar manner.
Furthermore, in 1988, the US EPA, Office of Pesticides and Toxic Substances issued a Notice to producers, Formulators, Distributors and Registrants regarding quaternary ammonium compounds with regard to "Clustering" of such quaternary ammonium compounds.
Prior to this, EPA had required each quat compound to be individually coded and registered as a new chemical, even when the chemical structure of individual compounds differed only slightly in alkyl distribution and chain lengths. This procedure was continued with the new generations of quats having two, three, and four chains. As a result, EPA records showed that some 211 registered technical grade active ingredient products containing varying concentrations of Quats, each coded separately on the basis of alkyl chain length and percentage carbon distribution within the chain. At this time, there are approximately eight to ten thousands (8-10,000) registered end-use formulations.
However, questions were raised regarding whether the EPA could cluster or group the quats and pick one or more representative members of each cluster to be used in toxicity studies, instead of requiring separate studies on each quat. These same questions were raised when the EPA issued its March 4, 1987 Data Call-In Notice requiring all registrants of antimicrobial active ingredients to submit subchronic and chronic toxicological data to support the continued registration of their products.
In response to these questions, EPA solicited information from industry, the public, academia, industry cooperative work groups, the state of California, and Canada. EPA then reviewed all of the assembled information along with the chemical structure of most of the quats. Based on the results of this review, EPA developed the following four groupings of currently registered quat compounds:
Group I. The alkyl or hydroxyalkyl (straight chain) substituted Quats
Group II. The non-halogenated benzyl substituted Quats (includes hydroxybenzyl, ethylbenzyl, hydroxyethybenzyl, napthylmethyl, dodecylbenzyl, and alkyl benzyl)
Group III. The di-and tri-chlorobenzyl substituted
Group IV. Quats with unusual substituents (charged heterocyclic ammonium compounds).
Fundamental to this discussion EPA determined that "X-" in all of these structures would be attributed to "any anionic species". Therefore, this would mean in terms of toxicological evaluation the coutner anion in such quaternary ammonium compounds could be regarded as; e.g halogen (Cl-, Br-, I-,), saccharinate or cyclohexylsulphamate. It is therefore suggested here that nitrite (NO2-) could also be regarded as a pertinent anion.
Since the US EPA deem that such a clustering of structures for toxicological evaluation is well founded then it would seem that to consider read-across data from quaternary ammonium compounds, di-C12-18-alkyldimethyl, chlorides to the closely structurally analogous quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites to be equally justifiable.
Similarly since the US EPA deem that the counter anion could be regarded as "any anionic species" then it would seem that to consider available toxicological data on sodium nitrite, in order to evaluate any health effects that may be incurred from exposure to the nitrite anion (NO2-), is equally justifiable.
Furthermore, in certain organic solvents it has been reported that the exchange constants between nitrite and chloride in quaternary ammonium salts (QAS) are approximately equal. [Zhurnal Analiticheskoi Khimii, 2010, Vol. 65, No. 6, pp. 579–584. (E.M. Rakhman’ko, M.S. Markovskaya, L.S. Stanishevskii, Yu.S. Zubenko, A.R. Tsyganov)]
To that end one study is presented from quaternary ammonium compounds, di-C12-18-alkyldimethyl, chlorides, CAS Number 68391-05-9, EC Number 269-924-1 and five studies are presented from sodium nitrite, CAS Number 7632-00-0, EC Number 231-555-9.
Quaternary ammonium compounds, di-C12-18-alkyldimethyl, chlorides, CAS Number 68391-05-9, EC Number 269-924-1
A study was conducted to evaluate the toxic effects of 13 wk dietary exposure to test material (40% didecyldimethylammonium chloride (DDAC) in water) in rats. The study was conducted according to OECD guideline 408.
The study was assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).
The test material was given by dietary admixture toSprague-Dawleyrats for 13 wk at the concentration of 1500, 3000 or 6000 ppm (corresponding to 42, 84 or 175 mg of DDAC/kg/d for the males and 49, 96 or 201 mg of DDAC/kg/d for the females). All animals were monitored for toxic effects including clinical observations, body and organ weights, hematology, serum chemistry, macroscopic and microscopic evaluations.
Under the test conditions, the NOAEL of the test material was determined to be 1500 ppm (corresponding to 42 mg DDAC/kg/d for the males and 49 mg DDAC/kg/d for the females) in rats
Sodium nitrite, CAS Number 7632-00-0, EC Number 231-555-9 (1)
In a publication entitiled "Epidemiological and Toxicological Aspects of Nitrates and Nitrites in the Environment" [Shuval HI and Gruener N (1972); Am. J. Public Health 62, 1045-1052) a 2 year study repeat dose (oral) toxicity is reported on sodium nitrite as the primary source.
Under the conditions of this study the NOEL was determined to be 6.7 mg NO2/kg bw/day.
Sodium nitrite, CAS Number 7632-00-0, EC Number 231-555-9 (2)
In a NTP study (2001), as a primary source, groups of male and female F344/N rats (10 animals/sex/group) were exposed to 0, 375, 750, 1,500, 3,000, or 5,000 ppm sodium nitrite (equivalent to average daily doses of approximately 0, 30, 55, 115, 200, or 310 mg sodium nitrite/kg bw/day in males and 0, 40, 80, 130, 225, or 345 mg/kg bw/day in females) in drinking water for 14 weeks.
Under the conditions of the study theNOAELs were not determined although all animals showed methaemoglobin formation.
However, the LOAEL were determined to be :
Males = 115 mg/kg bw/day
Females = 225 mg/kg bw/day
Sodium nitrite, CAS Number 7632-00-0, EC Number 231-555-9 (3)
In a NTP study (2001), as a primary source, groups of male and female B6C3F1 mice (10 animals/sex/group) were exposed to 0, 375, 750, 1,500, 3,000, or 5,000 ppm sodium nitrite (equivalent to average daily doses of approximately 0, 90, 190, 345, 750, or 990 mg/kg mg sodium nitrite/kg bw/day in males and 0, 120, 240, 445, 840, or 1,230 mg/kg bw/day in females) in drinking water for 14 weeks.
Under the conditions of the study the LOAEL were determined to be :
Males = 750 mg/kg bw/day
Females = 445 mg/kg bw/day