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EC number: 224-588-5 | CAS number: 4420-74-0
- 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
Endpoint summary
Administrative data
Description of key information
The key study for acute oral toxicity (Eurofins, 2018) was conducted according to OECD 423 and in compliance with GLP. The acute oral LD50 was identified to be 500 mg/kg bw for female rats.
The key study for acute dermal toxicity (BRRC 1990) was conducted according to a test protocol that is comparable to the appropriate OECD Test Guideline 402, but not in compliance with GLP. The acute dermal LD50 was identified to be 2497 mg/kg bw for males and 2172 mg/kg bw for females.
The key acute inhalation toxicity study (BRRC 1990) was conducted according to a protocol similar to OECD Test Guideline 403, not in compliance with GLP. 3-Trimethoxysilylpropane-1-thiol did not cause any deaths in Sprague-Dawley rats following a six hour exposure to saturated vapour.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 26th of July 2018 to 28th of August 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 423 (Acute Oral toxicity - Acute Toxic Class Method)
- Version / remarks:
- Adopted 17 December 2001
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: Commission Regulation (EC) No. 440/2008, L 142
- Version / remarks:
- Annex Part B, Method B.1, tris 30 May 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 870.1100 (Acute Oral Toxicity)
- Version / remarks:
- EPA 712-C-02-190, December 2002
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Test type:
- acute toxic class method
- Limit test:
- no
- Species:
- rat
- Strain:
- Wistar
- Sex:
- female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Charles River, Germany
- Females nulliparous and non-pregnant: yes
- Age at study initiation: 8-10 weeks
- Weight at study initiation: 152-165 g
- Fasting period before study: 16-19 hours
- Housing: The animals were kept in groups in IVC cages, type III H, polysulphone cages on Altromin saw fibre bedding.
- Diet: ad libitium of Altromin 1324 maintenance diet for rats and mice
- Water: ad libitum of free access to tap water, sulphur acidified to a pH value of approximately 2.8.
- Acclimation period: At least 5 days.
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 22 ± 3 °C
- Humidity (%): 55 ± 10%
- Air changes (per hr): 10 x
- Photoperiod (hrs dark / hrs light): 12/12
IN-LIFE DATES: From: 26 July 2018 To: 28 August 2018 - Route of administration:
- oral: gavage
- Vehicle:
- unchanged (no vehicle)
- Doses:
- 300 mg/kg bw and 2000 mg/kg bw.
- No. of animals per sex per dose:
- 3 females per dose
- Control animals:
- no
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations and weighing: Weighting on day 1, 8 and 15.
- Necropsy of survivors performed: yes
- Other examinations performed: clinical signs, body weight, organ weights, pathology - Statistics:
- With a few exceptions, data were captured using the validated departmental computerised system E-WorkBook (version 10.1.2, ID Business Solutions Ltd.).
- Key result
- Sex:
- female
- Dose descriptor:
- LD50
- Effect level:
- 500 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: LD50 cut off
- Mortality:
- At 2000 mg/kg bw, mortality occurred in two rats on day two and one rat was euthanised for ethical reasons. At 300 mg/kg bw, no mortality was observed.
- Clinical signs:
- other: At 2000 mg/kg bw, the test material caused clinical signs including reduced spontaneous activity, ataxia, moving of the bedding, sunken flanks, prone position, hunched posture, hypothermia, tremor and slow movements. At 300 mg/kg bw, the test material ca
- Gross pathology:
- At 2000 mg/kg bw, gazeous distension and dilated blood vessels were observed at necropsy. At 300 mg/kg bw, no specific gross pathological changes were recorded.
- Interpretation of results:
- Category 4 based on GHS criteria
- Conclusions:
- In an acute oral toxicity study with 3-trimethoxysilylpropane-1-thiol, conducted according to OECD TG 423 and in compliance with GLP, the concluded LD50 value was 500 mg/kg bw.
- Executive summary:
In an acute oral toxicity study with 3-trimethoxysilylpropane-1-thiol, conducted according to OECD TG 423 and in compliance with GLP, the concluded LD50 value for female rats was 500 mg/kg bw based on severe signs of toxicity and mortality at 2000 mg/kg bw, and slight signs of toxicity but no mortality at 300 mg/kg bw.
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 500 mg/kg bw
- Quality of whole database:
- The key study for acute oral toxicity was conducted according to OECD test guideline and in compliance with GLP.
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 403 (Acute Inhalation Toxicity)
- Deviations:
- not specified
- GLP compliance:
- not specified
- Test type:
- standard acute method
- Limit test:
- no
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Not stated
- Age at study initiation: Not stated
- Weight at study initiation: 200 - 300 g
- Fasting period before study: No
- Housing: Not stated
- Diet (e.g. ad libitum): Ad libitum
- Water (e.g. ad libitum): Ad libitum
- Acclimation period: Not stated
ENVIRONMENTAL CONDITIONS
- Temperature (°C): Not stated
- Humidity (%): Not stated
- Air changes (per hr): Not stated
- Photoperiod (hrs dark / hrs light): Not stated - Route of administration:
- inhalation: vapour
- Type of inhalation exposure:
- whole body
- Vehicle:
- other: no data
- Details on inhalation exposure:
- The vapour was produced by enclosing approximately 100 g of the test substance in a sealed 100 to 151 L animal chamber for approximately 18 hours (static conditions). A mixing fan periodically aggitated the chamber atmosphere. Oxygen was added as required to maintain a chamber oxygen content of approximately 20%. If deaths occurred, exposure times were varied to determine an LT50.
- Analytical verification of test atmosphere concentrations:
- not specified
- Duration of exposure:
- ca. 6 h
- Concentrations:
- Saturated vapour
- No. of animals per sex per dose:
- Five
- Control animals:
- no
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations and weighing: Weights: day 0 (prior to exposure), day 7 and day 14.
- Necropsy of survivors performed: yes
- Other examinations performed: clinical signs, body weight, gross pathology - Statistics:
- None
- Sex:
- male/female
- Effect level:
- other: saturated vapour
- Exp. duration:
- 6 h
- Remarks on result:
- other: No deaths
- Mortality:
- No deaths occurred
- Clinical signs:
- other: Fur slightly moist, periodic rubbing of head, eyes and nose during exposure. Recovery occurred within one hour of the end of exposure.
- Body weight:
- No effects on body weight gain
- Gross pathology:
- No findings
- Other findings:
- No other findings reported
- Interpretation of results:
- study cannot be used for classification
- Conclusions:
- In a good quality (reliability score 2) acute inhalation toxicity study, not conducted to GLP, 3-trimethoxysilylpropane-1-thiol did not cause any deaths in Sprague-Dawley rats following a six hour exposure to a saturated vapour.
- Executive summary:
In an acute inhalation study comparable to OECD test guideline 403, but not conducted to GLP, Sprague-Dawley rats were exposure to a saturated vapour of 3-trimethoxysilylpropane-1-thiol for six hours. They were then observed for 14 days. No deaths occurred and there was no effect on body weight gain. Fur slightly moist, periodic rubbing of head, eyes and nose during exposure. Recovery occurred within one hour of the end of exposure. There were no abnormal findings during the gross pathological examinations.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 402 (Acute Dermal Toxicity)
- GLP compliance:
- no
- Test type:
- standard acute method
- Limit test:
- no
- Species:
- rabbit
- Strain:
- New Zealand White
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Not stated
- Age at study initiation: Not stated
- Weight at study initiation: 2-3 kg
- Fasting period before study: Not stated
- Housing: Not stated
- Diet (e.g. ad libitum): Ad libitum
- Water (e.g. ad libitum): Ad libitum
- Acclimation period: Not stated
ENVIRONMENTAL CONDITIONS
- Temperature (°C): Not stated
- Humidity (%): Not stated
- Air changes (per hr): Not stated
- Photoperiod (hrs dark / hrs light): Not stated - Type of coverage:
- occlusive
- Vehicle:
- unchanged (no vehicle)
- Details on dermal exposure:
- TEST SITE
- Area of exposure: Not stated
- % coverage: Not stated
- Type of wrap if used: Occlusive
REMOVAL OF TEST SUBSTANCE
- Washing (if done): Yes
- Time after start of exposure: when dressings removed.
TEST MATERIAL
- Amount(s) applied (volume or weight with unit): 16 ml/kg bw was maximum
- Concentration (if solution): undiluted test substance used
- Duration of exposure:
- 24 hours
- Doses:
- 1.0, 2.0, and 4.0 ml/kg
- No. of animals per sex per dose:
- Five
- Control animals:
- not required
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations and weighing: Observations: one hour, seven days and 14 days. Body weights: before dosing, seven days and 14 days.
- Necropsy of survivors performed: yes
- Other examinations performed: Gross pathological examination - Statistics:
- Not stated
- Key result
- Sex:
- male
- Dose descriptor:
- LD50
- Effect level:
- ca. 2.46 mL/kg bw
- 95% CL:
- >= 1.79 - <= 3.39
- Remarks on result:
- other: 2.46 ml/kg x 1.015 = 2497 mg/kg bw
- Key result
- Sex:
- female
- Dose descriptor:
- LD50
- Effect level:
- ca. 2.14 mL/kg bw
- 95% CL:
- >= 1.45 - <= 3.17
- Remarks on result:
- other: 2.14 ml/kg x 1.015 = 2172 mg/kg bw
- Mortality:
- All male and female animals given 4.0 ml/kg bw died within one day of dosing. One male animal died at 2.0 ml/kg bw within one day of dosing. Two females died (Day 2 and 6) at 2.0 ml/kg bw. No animals died at 1.0 ml/kg bw.
- Clinical signs:
- other: A red liquid was apparent around the anus and/or the paperboard beneath the cages of several animals. Other signs of toxicity included sluggishness (two animals), unsteady gait (one animal), spasmodic movement (one animal), diarrhoea (one animal) and red
- Gross pathology:
- Necropsy of animals that died revealed red lungs, trachea filled with blood (two animals), the stomach of one animal had a red focal area, dark red kidneys, kidneys filled with blood (one animal) or a yellow to green gelatinous material, a dark red bladder (in one), blood in the urine of one animal and dark red enlarged lymph nodes. There were also instances of vascularisation and haemorrhages on the skin.
Gross pathological examination of survivors revealed mottled red lungs (two with dark red foci), tracheas filled with blood and excoriation of the treated skin. - Other findings:
- - Organ weights: not measured.
- Histopathology of potential target organs: The kidneys and bladders of two male and two female rabbits from all dose groups were subjected to detailed histological examination. At high doses of 2.0 and 4.0 ml/kg bw kidneys lesions included epithelial necrosis of the renal pelvis, tubular epithelial cell degeneration and proteinosis. There were no kidney lesions at 1.0 ml/kg bw, and no significant urinary bladder lesions at any dose.
- Other observations: Local cutaneous effects included erythema, oedema, necrosis, desquamation, fissuring, ulceration, alopecia and scabs. - Interpretation of results:
- Category 5 based on GHS criteria
- Conclusions:
- In a good quality (reliability score 2) acute dermal toxicity study, not conducted to GLP, the dermal LD50 for 3-trimethoxysilylpropane-1-thiol was 2.46 ml/kg bw for males and 2.14 ml/kg bw for females New Zealand white rabbits.
- Executive summary:
In a study comparable to OECD test guideline 402, but not conducted to GLP, 3-trimethoxysilylpropane-1-thiol was applied to the shaved backs of five male and five female New Zealand white rabbits, under an occlusive dressing for 24 hours. The skin was washed at the end of the exposure period. Doses were adjusted by altering the volumes of the undiluted test substance applied. The volumes used were 4.0, 2.0 and 1.0 ml/kg bw. All male and female animals given 4.0 ml/kg bw died within one day of dosing. One male animal died at 2.0 ml/kg bw, within one day of dosing. Two females died (Day 2 and 6) at 2.0 ml/kg bw. No animals died at 1.0 ml/kg bw. Therefore the LD50 was 2.46 ml/kg bw for males, and 2.14 ml/kg bw for females. Local cutaneous effects included erythema, oedema, necrosis, desquamation, fissuring, ulceration, alopecia and scabs. A red liquid was apparent around the anus and/or the paperboard beneath the cages of several animals. Other signs of toxicity included sluggishness (two animals), unsteady gait (one animal), spasmodic movement (one animal), diarrhoea (one animal) and red discharge around nose and mouth. Affected animals recovered with two to three days. Necropsy of animals that died revealed red lungs, trachea filled with blood (two animals), the stomach of one animal had a red focal area, dark red kidneys, kidneys filled with blood (one animal) or a yellow to green gelatinous material, a dark red bladder (in one), blood in the urine of one animal and dark red enlarged lymph nodes. There were also instances of vascularisation and haemorrhages on the skin. Gross pathological examination of survivors revealed mottled red lungs (two with dark red foci), tracheas filled with blood and excoriation of the treated skin. The kidneys and bladders of two male and two female rabbits from all dose groups were subjected to detailed histological examination. At high doses of 2.0 and 4.0 ml/kg bw kidneys lesions included epithelial necrosis of the renal pelvis, tubular epithelial cell degeneration and proteinosis. There were no kidney lesions at 1.0 ml/kg bw, and no significant urinary bladder lesions at any dose.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 2 172 mg/kg bw
- Quality of whole database:
- The key study for acute dermal toxicity was conducted according to a test protocol that is comparable to the appropriate OECD test guideline, but not in compliance with GLP.
Additional information
The key study for acute oral toxicity (Eurofins, 2018) reports a LD50 value of 500 mg/kg bw for females. The clinical signs included reduced spontaneous activity, ataxia, moving of bedding, sunken flanks, prone position, hunched posture, hypothermia, tremor and slow movements, reduced spontaneous activity and half eyelid closure. The animals that died revealed gaseous distension and dilated blood vessels. No specific gross pathological changes were recorded for survivors at a lower dosage. Supporting acute oral toxicity studies were also available, which did not meet current guideline requirements or were conducted according to a similar test protocol and support the conclusion of the key study (DCC, 1969, DCC 1963, Consultox, 1976; BRRC, 1990). The selected key study was the most recent and gave the most conservative result, but all results would lead to the same classification conclusion of Acute Category 4 for oral toxicity.
An acute oral toxicity study is also available for the analogous substance from 3-(triethoxysilyl)propanethiol (CAS 14814-09-6) which reports an LD50value of 6.17 ml/kg (estimated to be equivalent to 6108 mg/kg bw) in rats in a reliable study conducted according to a protocol equivalent to the now-deleted OECD Test Guideline 401 (Carnegie-Mellon 1976). In the highest dose group (16 ml/kg) the animals were seen to be sluggish, deep breathing, with tremor-like muscular spasms and loss of coordination. The symptoms progressed to salivation and convulsions followed by the death of all three animals. Similar, but milder clinical signs were evident in the lower dosage groups. In victims, petechial haemorrhages or congestion was observed in the lungs. This was accompanied with mottled livers, slightly speckled and congested kidneys and distended and liquid or gas-filled intestines and stomachs. Nothing remarkable was seen in survivors.
The key study for acute dermal toxicity (BRRC 1990) reports LD50 values of 2497 mg/kg bw for males and 2172 mg/kg bw for females. The clinical signs included sluggishness, unsteady gait, spasmodic movement, diarrhoea and red discharge around nose, mouth and anus. Affected animals recovered with two to three days. Necropsy of animals that died revealed red lungs, trachea filled with blood, the stomach of one animal had a red focal area, dark red kidneys, kidneys filled with blood or a yellow to green gelatinous material, a dark red bladder, blood in the urine of one animal and dark red enlarged lymph nodes. There were also instances of vascularisation and haemorrhages on the skin. Gross pathological examination of survivors revealed mottled red lungs, tracheas filled with blood and excoriation of the treated skin.
Additional acute dermal toxicity studies were also available for the registration substance, which did not meet current guidelines, but these add supporting information for this endpoint and support the conclusion of the key study (DCC 1969, DCC 1963).
An acute dermal toxicity study is also available for the analogue substance 3-(triethoxysilyl)propanethiol (CAS 14814 -09 -6) which reports and LD50 value of 2.52 ml/kg (estimated to be equivalent to 2494 mg/kg bw) in rat in a reliable study conducted according to a protocol equivalent to OECD Test Guideline 402 (Carnegie-Mellon 1976). Erythema, ecchymosis, scabs and desquamation were evident at application site with no other reported clinical signs. In victims, livers were paled and mottled, spleens dark and kidneys congested. No remarkable findings were seen in survivors.
The key acute inhalation toxicity study (BRRC 1990) was conducted according to a protocol similar to OECD Test Guideline 403, not in compliance with GLP. 3-Trimethoxysilylpropane-1-thiol did not cause any deaths in Sprague-Dawley rats following a six hour exposure to a saturated vapour of the test substance. The observed clinical signs of toxicity included slightly moist fur, periodic rubbing of head, eyes and nose during exposure, which were not evident at 1 hour post-exposure. No effects on body weight gain were observed. No other findings were reported.
Another two supporting acute inhalation toxicity studies were available, which did not meet current guideline requirements, but add supporting information for the endpoint and support the conclusion of the first study (DCC 1969, DCC 1963).
Justification for classification or non-classification
3-(Trimethoxysilyl)propane-1-thiol is classified for acute oral toxicity (Acute Oral Category 4; H302 Harmful if swallowed) according to Regulation (EC) 1272/2008. However, no peak oral exposures are expected and thus no hazard identified.
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