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EC number: 275-532-1 | CAS number: 71487-01-9
- 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
Acute Toxicity: oral
Administrative data
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 1980
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Justification for type of information:
- Read across justification is presented from the structurally analogous quaternary ammonium compounds, di-C12-18-alkyldimethyl, chlorides to the quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites.
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 that 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.
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)]
Cross-reference
- Reason / purpose for cross-reference:
- read-across: supporting information
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 980
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Version / remarks:
- Standard acute method
- GLP compliance:
- no
- Remarks:
- Pre-GLP
- Test type:
- standard acute method
- Limit test:
- no
Test material
- Reference substance name:
- Quaternary ammonium compounds, di-C12-18-alkyldimethyl, chlorides
- EC Number:
- 269-924-1
- EC Name:
- Quaternary ammonium compounds, di-C12-18-alkyldimethyl, chlorides
- Cas Number:
- 68391-05-9
- IUPAC Name:
- Quaternary ammonium compounds, di-C12-18-alkyldimethyl, chlorides
- Test material form:
- other: Colourless, wax-like solid
Constituent 1
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Arquad 2C
- Composition of test material, percentage of components: 75% dicocodimethylammonium chloride (CAS no. 68391-05-9), 15% isopropanol and 10% water
- Lot/batch No.: 1001702
Test animals
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Harlan Sprague-Dawley, Madison, USA
- Age at study initiation: approximately 7 wk
- Weight at study initiation: 202-300 g
- Fasting period before study: Overnight
- Housing: 5 animals/sex/cage
- Diet (e.g. ad libitum): ad libitum
- Water (e.g. ad libitum): ad libitum
- Acclimation period: at least 7 d
ENVIRONMENTAL CONDITIONS
The animals were kept in temperature and humidity controlled quarters
IN-LIFE DATES: From: June 11, 1980 To: August 13, 1980
Administration / exposure
- Route of administration:
- oral: gavage
- Vehicle:
- unchanged (no vehicle)
- Details on oral exposure:
- MAXIMUM DOSE VOLUME APPLIED:
The average specific gravity of test material was 890 mg/mL and the highest dose level was 3200 mg/kg bw. The maximum volume given to the animals was, therefore, 2.85 mL/kg bw. - Doses:
- 270, 430, 670, 1050, 1310, 2050 and 3200 mg/kg bw
- No. of animals per sex per dose:
- 8
- Control animals:
- no
- Details on study design:
- - Duration of observation period following administration: 14 d
- Frequency of observations and weighing: animals were observed 1, 2.5, and 4 h after dosing. After that the animals were observed daily for clinical signs and twice daily for mortality. The bodyweight of the animals were determined at Day 0, 7 and 14.
- Necropsy of survivors performed: yes
- Other examinations performed: no - Statistics:
- No
Results and discussion
- Preliminary study:
- Not applicable
Effect levelsopen allclose all
- Key result
- Sex:
- female
- Dose descriptor:
- LD50
- Effect level:
- 930 mg/kg bw
- Based on:
- not specified
- 95% CL:
- > 750 - < 1 140
- Key result
- Sex:
- male
- Dose descriptor:
- LD50
- Effect level:
- 1 000 mg/kg bw
- Based on:
- not specified
- 95% CL:
- > 250 - < 4 090
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 960 mg/kg bw
- Based on:
- not specified
- 95% CL:
- > 630 - < 1 470
- Mortality:
- No rats died in the 270 and 430 mg/kg bw groups. All rats died in the 2050 and 3200 mg/kg bw groups. There was a decreased level of mortality in the females at 1310 mg/kg bw compared to the two lower doses and to males at the same dose - see table below entitled ".Mortality rates in male and female rats administered the test substance by gavage".
- Clinical signs:
- other: Clinical signs such as diarrhoea, red stained around nose and mouth, hair loss, ataxia, decreased limb tone and hypoactivity were reported during the course of the study in most animals in the 670 mg/kg bw, 1050 mg/kg bw, 1310 mg/kg bw, 2050 mg/kg be and
- Gross pathology:
- - The major signs reported at necropsy in animals that died during the study were external signs of diarrhoea and bloody discharge from the nose, eyes and mouth.
- Adhesions involving the stomach and surrounding structures were seen at 1310 mg/kg bw, and were thought to suggest the presence of an inflammatory lesion involving the entire wall of the stomach with extension from the gastric serosa to adjacent tissues and healing fibrosis.
- Animals which received the higher dosage levels and died on test sooner possibly did not have adequate time for the lesion to develop. All other observations were considered incidental and not test related. A number of females that died during the study were partially cannibalised.
Any other information on results incl. tables
Mortality rates in male and female rats administered the test substance by gavage
Dose (mg/kg bw) |
Male Mortality |
Female Mortality |
270 |
0/8 |
0/8 |
430 |
0/8 |
0/8 |
670 |
3/8 |
5/8 |
1050 |
6/8 |
5/8 |
1310 |
6/8 |
4/8 |
2050 |
8/8 |
8/8 |
3200 |
8/8 |
8/8 |
Applicant's summary and conclusion
- Interpretation of results:
- Category 4 based on GHS criteria
- Conclusions:
- Under the test conditions, the acute oral LD50 of test material (containing 75% dicocodimethyl ammonium chloride) in rats was determined to be 960 (630 to 1470) mg/kg bw and is classified as Category 4 for acute oral toxicity with the signal word "Warning" and is assigned the hazard statement H302 "Harmful if swallowed" according to CLP Regulation (EC 1272/2008).
- Executive summary:
A study was performed with Sprague-Dawley rats to determine the acute oral toxicity of the test material (containing 75% dicocodimethyl ammonium chloride, 15% isopropanol and 10% water). The study was performed equivalent or similar to the OECD guideline 401. The study was not conducted according to GLP.
Consequently, this study is assigned a reliability score of 2 in accordance with the criteria for assessing data quality set forth by Klimisch et al (1997).
The test substance was administered undiluted by gavage to groups of 8 male and 8 female rats at dose levels of 270, 430, 670, 1050, 1310, 2050 and 3200 mg/kg bw. The animals were observed 1, 2.5, and 4 h after dosing. After that the animals were observed daily for clinical signs and twice daily for mortality. The bodyweight of the animals were determined at Day 0, 7 and 14. Necropsy was performed on all animals.
A decrease in bodyweight was observed for animals at higher dose levels.None of the animals of both sexes died at 270 and 430 mg/kg bw; all animals died at 2050 and 3200 mg/kg bw.In the surviving animals no specific lesions were detected. Some animals had discoloration of the lungs others showed mild hydrometra of the uterus, ulcer on the tail or adhesion of the non glandular region of the stomach to liver, spleen, cecum and abdominal wall. The signs observed in the animals that died during the study were: diarrhea, bloody nasal discharge or blood around the nose and mouth, bloody ocular discharge.
Under the test conditions, the acute oral LD50 of test material (containing 75% dicocodimethyl ammonium chloride) in rats was determined to be 960 (630 to 1470) mg/kg bw and is classified as Category 4 for acute oral toxicity with the signal word "Warning" and is assigned the hazard statement
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