Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 240-462-2 | CAS number: 16411-33-9
- 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
Endpoint summary
Administrative data
Description of key information
The key study for skin irritation is read across from the structurally analogous substance 1-methyl-N,N',N''-tris(1-methylpropyl)silanetriamine (CAS 37697-65-7). The study was conducted according to OECD TG 404 and in compliance with GLP and reports that the test substance is corrosive to skin (Hazleton, 1990).
In accordance with Column 2 of REACH Annex VIII, the in vivo eye irritation study (required in Section 8.2.1) does not need to be conducted as the substance is classified as corrosive to skin.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1988-08-05 to 1990-04-11
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 404 (Acute Dermal Irritation / Corrosion)
- Principles of method if other than guideline:
- 6 animals used.
- GLP compliance:
- yes
- Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Charles River, France
- Age at study initiation: adult
- Weight at study initiation: 2.40 - 2.65 kg
- Housing: individually hosted in polystyrene cages
- Diet: 150 g per rabbit per day of complete pelleted rabbit maintenance diet
- Water: softened and filtered mains drinking water, ad libitum
- Acclimation period: 12 days
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 16 -23
- Humidity (%): 36 - 75 % R.H.
- Air changes (per hr): no data
- Photoperiod (hrs dark / hrs light): 12/12 - Type of coverage:
- semiocclusive
- Preparation of test site:
- clipped
- Vehicle:
- unchanged (no vehicle)
- Controls:
- no
- Amount / concentration applied:
- TEST MATERIAL
- Amount(s) applied (volume or weight with unit): 0.5ml - Duration of treatment / exposure:
- 3 minutes (group 1) or 4 hours (group 2)
- Observation period:
- 14 days (at 1h, 24h, 48h and 72h)
- Number of animals:
- 6 males per group (2 groups)
- Details on study design:
- TEST SITE
- Area of exposure: back and flank
- % coverage: no data
- Type of wrap if used: semi-occlusive dressing (perforated adhesive tape, applied on a band of gauze)
REMOVAL OF TEST SUBSTANCE
- Washing (if done): no
- Time after start of exposure: 3 minutes or 4 hours
SCORING SYSTEM: Draize - Irritation parameter:
- erythema score
- Basis:
- animal #1
- Time point:
- 24/48/72 h
- Score:
- 2
- Max. score:
- 4
- Reversibility:
- not reversible
- Remarks:
- whole application area 'burned' by day 7 of observation. Desquamation by day 14.
- Remarks on result:
- other: corrosion
- Irritation parameter:
- erythema score
- Basis:
- animal #2
- Time point:
- 24/48/72 h
- Score:
- 3.3
- Max. score:
- 4
- Reversibility:
- not reversible
- Remarks:
- Whole application area 'burned' by day 7 of observation. Desquamation by day 14.
- Remarks on result:
- other: corrosion
- Irritation parameter:
- erythema score
- Basis:
- animal #3
- Time point:
- 24/48/72 h
- Score:
- 4
- Max. score:
- 4
- Reversibility:
- not reversible
- Remarks:
- whole application area 'burned' by day 7 of observation.
- Remarks on result:
- other: corrosive
- Irritation parameter:
- erythema score
- Basis:
- animal #4
- Time point:
- 24/48/72 h
- Score:
- 3.3
- Max. score:
- 4
- Reversibility:
- not reversible
- Remarks:
- whole application area 'burned' by day 7 of observation. Desquamation by day 14.
- Remarks on result:
- other: corrosive
- Irritation parameter:
- erythema score
- Basis:
- animal #5
- Time point:
- 24/48/72 h
- Score:
- 3.7
- Max. score:
- 4
- Reversibility:
- not reversible
- Remarks:
- whole application area 'burned' by day 7 of observation. Desquamation by day 14.
- Remarks on result:
- other: corrosive
- Irritation parameter:
- erythema score
- Basis:
- animal #6
- Time point:
- 24/48/72 h
- Score:
- 2.7
- Max. score:
- 4
- Reversibility:
- not reversible
- Remarks:
- whole application area 'burned' by day 7 of observation. Desquamation by day 14.
- Remarks on result:
- other: corrosive
- Irritation parameter:
- edema score
- Basis:
- animal #1
- Time point:
- 24/48/72 h
- Score:
- 0.3
- Max. score:
- 4
- Reversibility:
- fully reversible within: 7 days
- Irritation parameter:
- edema score
- Basis:
- animal #2
- Time point:
- 24/48/72 h
- Score:
- 1.3
- Max. score:
- 4
- Reversibility:
- fully reversible within: 7 days
- Irritation parameter:
- edema score
- Basis:
- animal #3
- Time point:
- 24/48/72 h
- Score:
- 1
- Max. score:
- 4
- Reversibility:
- fully reversible within: 7 days
- Irritation parameter:
- edema score
- Basis:
- animal #4
- Time point:
- 24/48/72 h
- Score:
- 1.3
- Max. score:
- 4
- Reversibility:
- fully reversible within: 7 days
- Irritation parameter:
- edema score
- Basis:
- animal #5
- Time point:
- 24/48/72 h
- Score:
- 0.67
- Max. score:
- 4
- Reversibility:
- fully reversible within: 7 days
- Irritation parameter:
- edema score
- Basis:
- animal #6
- Time point:
- 24/48/72 h
- Score:
- 1.67
- Max. score:
- 4
- Reversibility:
- fully reversible within: 7 days
- Irritant / corrosive response data:
- The erythema observations of group 1 (3 minutes application) showed that less than a quarter or half of the treated area, in all the individuals, was burnt. Dryness of the treated area could be also observed 72 hours post-treatment. Very slight edema was noted in 4 individuals, within the observation period.
The erythema observations of group 2 (4 hours application) showed that the treated area was necrotic and dry throughout the whole observation period. Slight to moderate edema was reported in most of the individuals within 72 hours post-exposure. - Other effects:
- The severe lesions in group 1 (3 minutes application) at 72-hour observation, were reported to be noticeably reversible within 14 days post-application. However, when the test substance was applied for 4 hours to the area in group 2, no reversibility could be observed.
- Interpretation of results:
- Category 1B (corrosive) based on GHS criteria
- Conclusions:
- The skin irritation study, conducted according to OECD TG 404 and in compliance with GLP, reports that the substance, 1-methyl-N,N',N''-tris(1-methylpropyl)silanetriamine, is corrosive.
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (corrosive)
Eye irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
The key study for skin irritation is read across from the structurally analogous substance 1-methyl-N,N',N''-tris(1-methylpropyl)silanetriamine (CAS 37697-65-7; source substance). The study was conducted according to OECD TG 404 and in compliance with GLP. The source substance, N,N',N''-tributyl-1-methylsilanetriamine (CAS 37697-65-7), is corrosive to skin (Hazleton, 1990).
Following a 3 minute application of the test material onto rabbit skin, erythema was evident in all the animals. Dryness of the treated area could be observed 72 hours post-treatment. The severe lesions at 72-hour observation, were reported to be noticeably reversible within 14 days post-application. Very slight oedema was noted in 4 out of the 6 rabbits, until the end of the 14 day observation period.
Following the 4 hour exposure, erythema was evident in all the animals, with necrosis and dry skin until the end of the observation period. Slight to moderate oedema was reported in 5 out of 6 of the animals at 72 hours post-exposure. There was no evidence for reversibility of the lesions, which remained until 14 days after the application of the test material. A reliable supporting study was also available, which reports the test material to be corrosive and supports the findings of the key study (SWS Silicones Corporation, 1976). In accordance with Column 2 of REACH Annex VIII, the in vivo eye irritation study (required in Section 8.2.1) does not need to be conducted as the substance is classified as corrosive to skin.
Read-across hypothesis
The hypothesis is that the predominant corrosive effect is due to the high pH of the substances and to their reactivity with water. The source and target substances react readily with moisture to produce amine-functional hydrolysis products, sec-butylamine or n-butylamine respectively, which are of high pH and drive their corrosive properties. This is discussed further below.
Read-across justification
The measured hydrolysis half-life of the target substance, N,N',N''-tributyl-1-methylsilanetriamine (CAS 16411-33-9), at 25°C is <2 minutes at pH 4, 7 and 9. The products of hydrolysis are n-butylamine (3 moles; CAS 13952-84-6) and methylsilanetriol (1 mole; CAS 2445-53-6).
The source substance 1-methyl-N,N',N''-tris(1-methylpropyl)silanetriamine (CAS 37697-65-7) has measured hydrolysis half-lives at 25°C of < 2 minutes at pH 4 and pH 7 and 5.0 min at pH 9. The hydrolysis products are sec-butylamine (3 moles; CAS 13952-84-6) and methylsilanetriol (1 mole; CAS 2445-53-6).
The available half-lives for the source substance were all measured at 25°C. Reaction rate increases with temperature and the half-lives at 37.5°C (relevant for in vivo studies) are expected to be significantly faster.
No pH or pKa values are available for the parent substances; measurement would not be technically feasible as they hydrolyse extremely rapidly in water. Both substances hydrolyse rapidly to produce three moles of an amine, sec-butylamine for the source substance and n-butylamine for the target substance. These substances (as for other amines) are highly soluble in water and basic, with a pKa of >9.5 (SIDS INITIAL ASSESSMENT PROFILE for C1 -13 Primary Amines; SIAM 32, 19-21 April 2011). Therefore, solutions of sec-butylamine and n-butylamine will be of very high pH (a 50% solution of n-butylamine has a pH of 13 according to the ECHA disseminated dossier for n-butylamine, CAS 109-73-9). Therefore, read across from 1-methyl-N,N',N''-tris(1-methylpropyl)silanetriamine (CAS 37697-65-7) to N,N',N''-tributyl-1-methylsilanetriamine CAS 16411-33-9 for skin irritation is valid.
Analogue approach justification
(a) Structural similarity
The target and source substances are structurally similar alkylsilylsilane amines. They each have one methyl group and three butylamine groups bound to a central silicon atom. The difference between the target and source substances is that the butylamine group is n-butylamine in the target substance and sec-butylamine (methylpropylamine) in the source substance. Both substances hydrolyse rapidly to produce the common silicon-containing hydrolysis product, methylsilanetriol, and the non-silicon hydrolysis products n-butylamine or sec-butylamine.
(b) Similar physicochemical characteristics
The similarity of the physicochemical properties and hydrolysis rates at pH relevant to skin exposure is important. Both parent substances hydrolyse extremely rapidly and the hydrolysis products have comparable low log Kow and vapour pressure and high pH. The key physicochemical parameters are summarised below.
|
Source |
Target |
Name |
1-Methyl-N,N',N''-tris(1-methylpropyl)silanetriamine |
N,N',N''-Tributyl-1-methylsilanetriamine |
CAS |
37697-65-7 |
16411-33-9 |
EC |
253-634-7 |
240-462-2 |
Amine leaving group |
sec-butylamine (CAS 13952-84-6) 3 moles |
n-butylamine (CAS 109-73-9) 3 moles |
Si hydrolysis product |
Methylsilanetriol (CAS 2445-53-6) 1 mole |
Methylsilanetriol (CAS 2445-53-6) 1 mole |
Molecular weight |
259.51 |
259.51 |
Hydrolysis t1/2 at pH 7 and 25°C |
< 2 min |
< 2 min |
Hydrolysis t1/2 at pH 4 and 25°C |
< 2 min |
< 2 min |
Vapour pressure amine leaving group |
24000 Pa at 25°C |
12400 Pa at 25°C |
Water solubility amine leaving group |
1.1E+05 mg/l |
1E+06 mg/l |
Log Kow amine leaving group |
0.74 |
0.97 |
pKa amine leaving group |
>9.5 |
>9.5 |
Vapour pressure silanol hydrolysis product |
0.05 Pa at 25°C (QSAR) |
0.05 Pa at 25°C (QSAR) |
Water solubility silanol hydrolysis product |
1E+06 mg/l (limited to around 1000 mg/l by condensation reactions) |
1E+06 mg/l (limited to around 1000 mg/l by condensation reactions) |
Log Kow silanol hydrolysis product |
-2.4 (QSAR) |
-2.4 (QSAR) |
Justification for classification or non-classification
Based on the available data on the read across substance, 1-methyl-N,N',N''-tris(1-methylpropyl)silanetriamine (CAS 37697-65-7), N,N',N''-tributyl-1-methylsilanetriamine is classified as Corrosive to Skin Category 1B, 'H314; Causes severe skin burns and eye damage' according to Regulation (EC) No 1272/2008.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.