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EC number: 239-415-9 | CAS number: 15396-00-6
- 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
In the key acute oral toxicity study, conducted to the now deleted OECD Test Guideline 401 and in compliance with GLP (Bushy Run Research Center, 1995), the LD50 values in male and female rats were >500 and 878 mg/kg bw, respectively for 3-(trimethoxysilyl)propyl isocyanate. There were no clinical signs of toxicity in males given 500 mg/kg bw test substance in corn oil. Signs in females included hypoactivity, diarrhoea, darkened eyes, pale extremities, slow breathing, abdominal breathing, piloerection, lacrimation, hind limb cyanosis (in 1), prostration (in 1), an unkempt appearance (in 1), a brown stain on the perianal fur and a red crust on the perinasal fur. Most affected survivors recovered within 2 hours to 2 days. Two females recovered at 4 or 7 days.
In the key acute dermal toxicity study, conducted according to a protocol similar to OECD Test Guideline 402 and in compliance with GLP (Bushy Run Research Center, 1995), the LD50 values in male and female rabbits were 1190 and >2000 mg/kg bw, respectively for 3-(trimethoxysilyl)propyl isocyanate. There were signs of skin irritation. Signs of toxicity included hypoactivity, prostration, slow breathing, shallow breathing, an abnormal gait (in 2 ), rapid breathing, diarrhoea (in 1), front limb splay and marked hindlimb splay (in 1 male that died), marked weakness of right hind limb (in 1 male that died), weakened front limbs (in 1 male that died), pallor (in 2), an abnormal tilting of the head (in l), emaciation, iritis (in 1), dehydrated appearance (in 1), discharge or crust (mostly brown) on the perianal fur, and wetness of the perioral and perinasal fur. Most affected survivors recovered at 1 to 4 days. Two rabbits exhibited signs at 13 and/or 14 days.
In the acute vapour inhalation study, conducted according to OECD Test Guideline 403 and in compliance with GLP (WIL Research Laboratories, 2004), the LC50 for a 4-hour exposure to 3-(trimethoxysilyl)propyl isocyanate was 15 ppm (125.95 mg/m3) in rats. Clinical observations and necropsy findings indicated local effects on the respiratory tract.
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:
- supporting study
- Study period:
- 14.07.1994 to 09.08.1994
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- GLP compliance:
- yes
- 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: Harlan Sprague Dawley, Inc (Indianapolis, IN)
- Age at study initiation: No data
- Weight at study initiation: Males: 265-291 g; Females: 202-263 g
- Fasting period before study: yes, overnight
- Housing: Groups of up to 5 animals in stainless steel cages
- Diet (e.g. ad libitum): Ad libitum
- Water (e.g. ad libitum): Ad libitum
- Acclimation period: At least five days
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 19-25
- Humidity (%): 40-70
- Air changes (per hr): No data
- Photoperiod (hrs dark / hrs light): 12/12
IN-LIFE DATES: From: 14.07.1994 To: 09.08.1994 - Route of administration:
- oral: gavage
- Vehicle:
- corn oil
- Details on oral exposure:
- MAXIMUM DOSE VOLUME APPLIED: No data
- Doses:
- Females: 250, 500, 707 and 1000 mg/kg bw
Males: 500 mg/kg bw - No. of animals per sex per dose:
- Three males; five females
- Control animals:
- no
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations and weighing: Dosed animals were observed frequently for signs of toxicity on the first day of the test and twice per day thereafter. Weights were recorded on the day of dosing and at 7 and 14 days after dosing and at death.
- Necropsy of survivors performed: Yes
- Other examinations performed: Macroscopic examination. - Statistics:
- No details given.
- Key result
- Sex:
- male
- Dose descriptor:
- LD50
- Effect level:
- > 500 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: No male animals died.
- Key result
- Sex:
- female
- Dose descriptor:
- LD50
- Effect level:
- 878 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: Death occurred at 2.25 hr to 1 day.
- Mortality:
- No male animals died after receiving doses of 500 mg/kg bw test substance in corn oil.
- Clinical signs:
- other: There were no clinical signs of toxicity in males given 500 mg/kg bw test substance in corn oil. Signs in females included hypoactivity, diarrhoea, darkened eyes, pale extremities, slow breathing, abdominal breathing, piloerection, lacrimation, hind limb
- Gross pathology:
- Necropsy of animals that died revealed red submandibular lymph nodes (in 1), red lungs, hyperinflated lungs, red thymuses, mottled red to dark red livers, dark red kidneys, reddened stomachs (glandular portion), gas-filled cecums and 2 gas-filled colons. Yellow liquid was also present in the stomach and intestines (in 2) and cecum (in 1). In addition, there was a light yellow stain evident on the facial and perineal fur of all rats that died. There were no gross lesions observed for survivors at necropsy except for red livers (caudate lobe) in two males.
- Interpretation of results:
- Category 4 based on GHS criteria
- Conclusions:
- In an acute oral toxicity study conducted to the now deleted OECD 401 and to GLP (reliability score 1) the LD50 values in male and female rats of >500 and 878 mg/kg bw, respectively for 3-(trimethoxysilyl)propyl isocyanate. There were no clinical signs of toxicity in males given 500 mg/kg bw test substance in corn oil. Signs in females included hypoactivity, diarrhoea, darkened eyes, pale extremities, slow breathing, abdominal breathing, piloerection, lacrimation, hind limb cyanosis (in 1), prostration (in 1), an unkempt appearance (in 1), a brown stain on the perianal fur and a red crust on the perinasal fur. Most affected survivors recovered within 2 hours to 2 days. Two females recovered at 4 or 7 days.
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 878 mg/kg bw
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 24.05.2004 to 16.12.2004
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 870.1300 (Acute inhalation toxicity)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 403 (Acute Inhalation Toxicity)
- GLP compliance:
- yes
- 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: Charles River Laboratories, North Carolina
- Age at study initiation: 8-10 weeks old
- Weight at study initiation: Males: 272-298 g; Females: 232-257 g.
- Fasting period before study: No data
- Housing: Individual suspended wire-mesh cages
- Diet (e.g. ad libitum): Ad libitum
- Water (e.g. ad libitum): Ad libitum
- Acclimation period: Minimum of 7 days.
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 22± 3
- Humidity (%): 50± 20
- Air changes (per hr): No data
- Photoperiod (hrs dark / hrs light): 12/12
IN-LIFE DATES: From: 09.09.2004 To: 01.10.2004 - Route of administration:
- inhalation: vapour
- Type of inhalation exposure:
- whole body
- Vehicle:
- air
- Details on inhalation exposure:
- GENERATION OF TEST ATMOSPHERE / CHAMBER DESCRIPTION
- Exposure apparatus:
- Exposure chamber volume:
- Method of holding animals in test chamber:
- Source and rate of air:
- Method of conditioning air:
- System of generating particulates/aerosols:
- Method of particle size determination:
- Treatment of exhaust air:
- Temperature, humidity, pressure in air chamber:
TEST ATMOSPHERE
- Brief description of analytical method used:
- Samples taken from breathing zone: yes/no - Analytical verification of test atmosphere concentrations:
- yes
- Duration of exposure:
- 4 h
- Concentrations:
- 3.9, 11.0 and 17.8 ppm (actual)
- 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: Clinical observations were made following exposure on study day 0 and once daily thereafter for 14 days. Body weights were obtained immediately prior to exposure on study day 0 and on post-exposure days 7 and 14. All animals that died during the study were weighed.
- Necropsy of survivors performed: yes
- Other examinations performed: macroscopic examination. - Sex:
- male/female
- Dose descriptor:
- LC50
- Effect level:
- 15 ppm
- Based on:
- test mat.
- 95% CL:
- >= 12 - <= 18
- Exp. duration:
- 4 h
- Mortality:
- Mortality was 0/10, 1/10 and 8/10 animals for the 3.9, 11.0 and 17.8 ppm groups, respectively.
One male in the 11.0 ppm group was found dead on the day following exposure (study day 1). Five males and three females in the 17.8 ppm group were found dead during the study. All deaths were noted within four days of exposure. - Clinical signs:
- other: Clinical observations immediately following exposure included rales in all groups; gasping and laboured respiration in the 11.0 and 17.8 ppm groups; and hypoactivity and hypothermia in the 17.8 ppm group. Significant clinical observations for the survivin
- Body weight:
- Two females in the 3.9 ppm group lost weight during study days 7 and 14 and three males and one female in the 11.0 ppm group lost weight during study days 0 to 7. Both of the surviving females in the 17.8 ppm group lost weight during study days 0 to 7. With the exception of one female in the 3.9 ppm group, all animals surpassed their initial body weight by study day 14 and were considered normal.
- Gross pathology:
- There were no gross findings for the male found dead in the 11.0 ppm group. For the animals found dead in the 17.8 ppm group, the only internal gross findings were lungs not fully collapsed for one male. At the scheduled necropsy, dark red discolouration of the mandibular lymph node was noted for one female each in the 11.0 and 17.8 ppm groups.
- Interpretation of results:
- Category 1 based on GHS criteria
- Conclusions:
- In an acute vapour inhalation study conducted to OECD 403 and to GLP (reliability score 1) the LC50 for a 4-hour exposure to 3-(trimethoxysilyl)propyl isocyanate was 15 ppm (125.95 mg/m3) in rats. Clinical observations immediately following exposure included rales in all groups; gasping and laboured respiration in the 11.0 and 17.8 ppm groups and hypoactivity and hypothermia in the 17.8 ppm group. Significant clinical observations for the surviving animals during the 14-day post-exposure observation period consisted of rales in all groups; decreased defecation/urination, hypothermia and laboured respiration in the 11.0 and 17.8 ppm groups, and gasping and hypoactivity in the 17.8 ppm group. All animals in the 3.9 ppm group were considered normal by study day 2. Surviving animals in the 11.0 and 17.8 ppm groups were considered normal by study days 9 and 7, respectively. There were no gross findings for the male found dead in the 11.0 ppm group. For the animals found dead in the 17.8 ppm group, the only internal gross findings were lungs not fully collapsed for one male. At the scheduled necropsy, dark red discolouration of the mandibular lymph node was noted for one female each in the 11.0 and 17.8 ppm groups.
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LC50
- Value:
- 125.95 mg/m³ air
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 29.06.1994 to 27.09.1994
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 402 (Acute Dermal Toxicity)
- GLP compliance:
- yes
- 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: HRP, Inc (Denver, PA)
- Age at study initiation: 13-18 weeks
- Weight at study initiation: 2-2.3 kg
- Fasting period before study: No
- Housing: Individually in cages with wire floors
- Diet (e.g. ad libitum): Ad libitum
- Water (e.g. ad libitum): Ad libitum
- Acclimation period: At least five days
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 16-22
- Humidity (%): 40-60
- Air changes (per hr): No data
- Photoperiod (hrs dark / hrs light): 12/12
IN-LIFE DATES: From: 29.06.1994 To: 27.09.1994 - Type of coverage:
- occlusive
- Vehicle:
- unchanged (no vehicle)
- Details on dermal exposure:
- TEST SITE
- Area of exposure: Dorsal trunk
- % coverage: No data
- Type of wrap if used: Double layer of gauze sheeting was wrapped around the trunk and secured with adhesive tape. To secure the polyethylene, plastic ties/rubber bands were added (at the ends of the trunk). The sheeting was protected from removal or tearing by wrapping the trunk with bandage tape.
REMOVAL OF TEST SUBSTANCE
- Washing (if done): No
TEST MATERIAL
- Amount(s) applied: 15 mg/cm2 to 40 mg/cm2 - Duration of exposure:
- 24 h
- Doses:
- Males: 500, 1000, 1400 and 2000 mg/kg bw.
Females: 1000, 1400 and 2000 mg/kg bw. - 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: Dosed animals were observed frequently for signs of toxicity on the first day of the test and twice per day thereafter. Weights were recorded on the day of dosing and at 7 and 14 days after dosing and at death.
- Necropsy of survivors performed: Yes
- Other examinations performed: Macroscopic examination. - Sex:
- male
- Dose descriptor:
- LD50
- Effect level:
- 1 190 mg/kg bw
- Based on:
- test mat.
- Sex:
- female
- Dose descriptor:
- LD50
- Effect level:
- > 2 000 mg/kg bw
- Based on:
- test mat.
- Mortality:
- In the definitive percutaneous test, 5 female rabbits were dosed with 2000 mg/kg of undiluted test substance (the maximum required dose - limit
test). Substantial signs of toxicity and 1 death resulted. Another 5 females were dosed with 1400 mg/kg of undiluted Y-5187; 1 animal died. None of 5 females died from 500 mg/kg. Most deaths occurred within 1 to 5 days. Three males died at 4 hours, 6 days or 9 days. - Clinical signs:
- other: Signs of toxicity included hypoactivity, prostration, slow breathing, shallow breathing, an abnormal gait (in 2 ), rapid breathing, diarrhoea (in 1), front limb splay and marked hindlimb splay (in 1 male that died), marked weakness of right hind limb (in
- Gross pathology:
- Necropsy of rabbits that died revealed dark red areas on the lungs and single instances of light brown lungs, pale lungs with dark red areas, a dark red thymus, dark red liquid in the bladder and a distended bladder. The tissues of several animals that died were autolyzed upon necropsy. Gross necropsy findings for survivors included 1 dark red thymus and mottled and/or dark red areas on the lungs (in 2). One animal had a small, firm left kidney and a large right kidney.
- Other findings:
- Skin reactions included erythema, oedema, ecchymosis, ulceration, necrosis, fissuring, desquamation, alopecia and scabs. For most rabbits, the skin of
the dosed area was dry and leather-like at 1 day. - Interpretation of results:
- Category 4 based on GHS criteria
- Conclusions:
- In an acute dermal toxicity study conducted using a protocol comparable to OECD 402 and to GLP (reliability score 1) the LD50 values in male and female rabbits were 1190 and >2000 mg/kg bw, respectively for 3-(trimethoxysilyl)propyl isocyanate. There were signs of skin irritation. Signs of toxicity included hypoactivity, prostration, slow breathing, shallow breathing, an abnormal gait (in 2 ), rapid breathing, diarrhoea (in 1), front limb splay and marked hindlimb splay (in 1 male that died), marked weakness of right hind limb (in 1 male that died), weakened front limbs (in 1 male that died), pallor (in 2), an abnormal tilting of the head (in l), emaciation, iritis (in 1), dehydrated appearance (in 1), discharge or crust (mostly brown) on the perianal fur, and wetness of the perioral and perinasal fur. Most affected survivors recovered at 1 to 4 days. Two rabbits exhibited signs at 13 and/or 14 days.
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 1 190 mg/kg bw
Additional information
The key study for acute oral toxicity, conducted according to appropriate guideline and in compliance with GLP (reliability score 1) reports LD50 values in male and female rats of >500 and 878 mg/kg bw, respectively for 3-(trimethoxysilyl)propyl isocyanate (Bushy Run Research Center, 1995a). There were no clinical signs of toxicity in males given 500 mg/kg bw test substance in corn oil. Signs in females included hypoactivity, diarrhoea, darkened eyes, pale extremities, slow breathing, abdominal breathing, piloerection, lacrimation, hind limb cyanosis, prostration, an unkempt appearance, a brown stain on the perianal fur and a red crust on the perinasal fur. All affected survivors recovered by day 7.
The key acute inhalation study, conducted according to OECD Test Guideline 403 and in compliance with GLP (reliability score 1) reports an LC50 for a 4-hour (vapour) exposure to 3-(trimethoxysilyl)propyl isocyanate to be 15 ppm (125.95 mg/m3) in rats (WIL Research Laboratories, 2004). Significant clinical observations for the surviving animals during the 14-day post-exposure observation period consisted of rales in all groups; decreased defecation/urination, hypothermia and laboured respiration in the 11.0 and 17.8 ppm groups, and gasping and hypoactivity in the 17.8 ppm group. All animals in the 3.9 ppm group were considered normal by study day 2. Surviving animals in the 11.0 and 17.8 ppm groups were considered normal by study days 9 and 7, respectively. There were no gross findings for the male found dead in the 11.0 ppm group. For the animals found dead in the 17.8 ppm group, the only internal gross finding was lungs not fully collapsed for one male. At the scheduled necropsy, dark red discolouration of the mandibular lymph node was noted for one female each in the 11.0 and 17.8 ppm groups.
Two supporting studies were also available for acute inhalation. In a well-documented, non-guideline acute inhalation study conducted in compliance with GLP no rats died when exposed to a substantially saturated vapour of 3-(trimethoxysilyl)propyl isocyanate for six hours (Bushy Run Research Center, 1995b). Clinical signs of toxicity apparent during exposure included blepharospasm, wetness of the periocular fur and mouth breathing. Following exposure, signs of toxicity included audible breathing, wetness of periocular fur, mouth breathing, an unkempt appearance, crust on the perinasal fur and tremors (in 1). All rats recovered within 2 to 3 days. Several rats lost weight by 7 days; all at least partially recovered by 14 days. No gross lesions were apparent at necropsy for any animal.
The second supporting study for acute inhalation toxicity (TNO, 2013) was also conducted according to an appropriate OECD guideline and in compliance with GLP. A 4-hour LC50 for 3-(trimethoxysilyl)propyl isocyanate was calculated to be between 54 and 108 mg/m3 (6 and 13 ppm) in rats. Local effects on the respiratory tract were observed.
The key study for acute dermal toxicity, conducted according to an appropriate protocol and in compliance with GLP, reports LD50 values in male and female rabbits of 1190 and >2000 mg/kg bw, respectively for 3-(trimethoxysilyl)propyl isocyanate (Bushy Run Research Center, 1995c). Signs of skin irritation were observed. Signs of toxicity included hypoactivity, prostration, slow breathing, shallow breathing, an abnormal gait, rapid breathing and diarrhoea. Most affected survivors recovered at 1 to 4 days. Two rabbits exhibited signs at 13 and/or 14 days.
The acute toxicity data for the hydrolysis product, 3-(trimethoxysilyl)propylamine (CAS 13822-56-5), have been added as supporting information. The acute toxicity is determined by the isocyanate group. The hydrolysis product data support this conclusion as acute oral and dermal toxicity tests do not lead to classification for acute toxicity for the hydrolysis product, which lacks an isocyanide group.
Justification for classification or non-classification
Based on the available data, 3-(trimethoxysilyl)propyl isocyanate is classified for acute oral and dermal toxicity Cat 4, 'H302: Harmful if swallowed', 'H312: Harmful in contact with skin' and acute inhalation toxicity Cat 1 (vapour), 'H330: Fatal if inhaled'according to Regulation (EC) No 1272/2008.
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