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Diss Factsheets
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EC number: 203-699-2 | CAS number: 109-73-9
- 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
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Endpoint summary
Administrative data
Link to relevant study record(s)
- Endpoint:
- basic toxicokinetics in vivo
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Meets generally accepted scientific standards, limited documentation, acceptable for assessment
- Objective of study:
- excretion
- Principles of method if other than guideline:
- Biochemical/physiological model study on the mechanism of ammonia and amine excretion in acidosis and alkalosis:
Excretion into urine of rats after i.p. injection of the HCl salts of various amines under artificially alkalotic or acidotic metabolic conditions.
Identification and quantification of the urinary amines after derivatisation with dinitrophenol by reverse-phase HPLC. - GLP compliance:
- no
- Radiolabelling:
- no
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- ca. 250 g body weight
- Route of administration:
- intraperitoneal
- Vehicle:
- physiological saline
- Duration and frequency of treatment / exposure:
- 12 hour(s)
- Remarks:
- Doses / Concentrations:
100 mg/kg bw (related to free base) in 5 mL saline - No. of animals per sex per dose / concentration:
- 6
- Control animals:
- not specified
- Metabolites identified:
- no
- Endpoint:
- basic toxicokinetics in vivo
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable, study meets basic scientific principles. Early human metabolism study. Analytical procedure outdated. Documentation of test conditions sufficient. limited documentation, acceptable for assessment
- Objective of study:
- excretion
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Metabolism /excretion study: The excretion of unchanged amine in urine was examined 24 hours after ingestion of the hydrochloric acid salts
of various primary (methyl, ethyl-, propyl, butyl, isobutyl) and secondary (dimethyl, diethyl) amines by one human volunteer.
The amines - if found in substantial amounts in the urine- were characterized as their salts of picrolonic acid from the urine, otherwise the volatile alkylamine fraction excreted in urine served as indicator for excretion of unchanged test substance. - GLP compliance:
- no
- Radiolabelling:
- no
- Species:
- human
- Strain:
- other: Caucasian white
- Sex:
- male
- Route of administration:
- oral: unspecified
- Vehicle:
- not specified
- Duration and frequency of treatment / exposure:
- 24 hour(s)
- Remarks:
- Doses / Concentrations:
Males: 3.5 g n-butylamine HCl (= 0.446 g N) - No. of animals per sex per dose / concentration:
- Males: 1
- Control animals:
- no
- Details on study design:
- 24-hour urine was collected and measured. Unchanged n-butylamine in urine was quantified as volatile alkylamine fraction.
- Details on excretion:
- Only about 2 % (1.95 %) of the dose was excreted into the urine within 24 h, based on excess volatile alkylamine in the urine. The respective picronolate was not produced for further characterisation.
- Metabolites identified:
- no
- Details on metabolites:
- It is concluded that most of the butylamine was metabolised.
- Endpoint:
- basic toxicokinetics in vivo
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
n-Butylamine hydrochloride (NBA-HCl) has been used in the experimental studies investigating toxicokinetic behaviour (Rechenberger, 1940; Bourke et al., 1972).
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
Source chemical
Chemical name: Butan-1-aminium chloride
Synonym: n-Butylamine hydrochloride, n-butylammonium chloride
CAS number: 3858-78-4
EINECS number: 223-369-1
Chemical formula: C4H12ClN
Purity
n-Butylamine has a purity in the range > 99.5 to ≤ 100% with a typical purity of 99.8%.
Toxicokinetic studies in section 7.1.1 have been performed with n-butylamine hydrochloride of unknown purity. However, this is not regarded as relevant, as these studies have been performed to study the fate of the source chemical in the mammalian organism, and impurities are not expected to alter this metabolism to a relevant extent.
3. ANALOGUE APPROACH JUSTIFICATION
n-Butylammonium chloride has been tested in toxicokinetic studies as a surrogate for n-butylamine. The high corrosivity of the latter strongly restricts testing in vivo. Application of the test material n-Butylammonium chloride was in buffered solutions, i.e. n-butylammonium ion would have been generated in situ anyway. Therefore, the study results are considered valid for the evaluation of n-butylamine toxicokinetics. - Reason / purpose for cross-reference:
- read-across source
- Executive summary:
The study used as sourceinvestigated n-butylamine hydrochloride (butan-1-aminium chloride).The study results of the source compound were considered applicable to the target compound.
- Endpoint:
- basic toxicokinetics in vivo
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
n-Butylamine hydrochloride (NBA-HCl) has been used in the experimental studies investigating toxicokinetic behaviour (Rechenberger, 1940; Bourke et al., 1972).
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
Source chemical
Chemical name: Butan-1-aminium chloride
Synonym: n-Butylamine hydrochloride, n-butylammonium chloride
CAS number: 3858-78-4
EINECS number: 223-369-1
Chemical formula: C4H12ClN
Purity
n-Butylamine has a purity in the range > 99.5 to ≤ 100% with a typical purity of 99.8%.
Toxicokinetic studies in section 7.1.1 have been performed with n-butylamine hydrochloride of unknown purity. However, this is not regarded as relevant, as these studies have been performed to study the fate of the source chemical in the mammalian organism, and impurities are not expected to alter this metabolism to a relevant extent.
3. ANALOGUE APPROACH JUSTIFICATION
n-Butylammonium chloride has been tested in toxicokinetic studies as a surrogate for n-butylamine. The high corrosivity of the latter strongly restricts testing in vivo. Application of the test material n-Butylammonium chloride was in buffered solutions, i.e. n-butylammonium ion would have been generated in situ anyway. Therefore, the study results are considered valid for the evaluation of n-butylamine toxicokinetics. - Reason / purpose for cross-reference:
- read-across source
- Executive summary:
The study used as source investigated n-butylamine hydrochloride (butan-1-aminium chloride).The study results of the source compound were considered applicable to the target compound.
Referenceopen allclose all
n-Butylamine was easily excreted into the urine within 8 h, 4.2 times
higher under acidotic conditions (urinary pH 5.4 - 6.0) than under
alkalotic conditions (urinary pH 7.7 - 8.7).
No mass balance or quantitative data are documented.
It can concluded that the un-ionised, more lipohilic n-butylamine partitions rapidly across membranes by diffusion, and excretion into urine is favoured by ionisation under acidotic conditions, thus the amine (like ammonia) serving as vehicle to get rid of excess H+ (compensation of acidosis).
---------------
The oral ingestion of a single dose of 3.5 g n-butylamine was well tolerated.
Description of key information
see below
Key value for chemical safety assessment
Additional information
Toxicokinetics, Metabolism and Distribution
n-Butylammonium chloride has been tested in toxicokinetic studies as a surrogate for n-butylamine. The high corrosivity of the latter strongly restricts testingin vivo. Application of the test material n-Butylammonium chloride was in buffered solutions, i.e. n-butylammonium ion would have been generatedin situanyway. Therefore, the study results are considered valid for the evaluation of n-butylamine toxicokinetics.
No experimental data on absorption have been located.
The substance is assumed to be readily bioavailable by all potential routes of exposure; main potential exposure may occur by inhalation and by skin contact.
There is limited experimental data about excretion of n-butylamine (oral, human: Rechenberger 1940; i.p., rat: Bourke et al. 1972).The findings suggest that the substance easily passes cellular membranes and rapidly disappears from the body by direct excretion or metbolism.
In general, it can be assumed that n-butylamine as a primary aliphatic amine will be a substrate of mitochondrial monoamine oxidases (MAO) and undergoes ready metabolism in the mammalian organism (Cavender et al. 2000; Abbott et al. 2006):
Monoamine oxidase (MAO) catalyses the deamination of primary, secondary, and tertiary amines (Beard and Noe, 1981):
2 RCH2NR’R’’ + O2+ 2 H2O --> 2 RCHO + 2 NHR’R’’ + H2O + H2O2
After initial oxidative deamination by wide-spread monoamine oxidases (MAO), mainly located in liver, kidney and the intestinal mucosa, the resulting aldehyde is further oxidised chiefly by NAD+-dependent aldehyde dehydrogenases to form the respective fatty acids, in this case butyric acid, which may directly enter the ß-oxidation pathway to be degraded to C2 bodies and finally to carbon dioxide.
____________________________
Reviews:
Abbott PJ, Mattia A, Renwick AJ, and DiNovi M (2006): Aliphatic and aromatic amines and amides (first draft).
WHO Food Additives Series Vol. 56 (2006), pp 327-397 [http://www.inchem.org/documents/jecfa/jecmono/v56je13.pdf]
[T04518]
Cavender FL, Bingham E, Cohrssen B, Powell CH (2000): Aliphatic and Alicyclic Amines. Patty´s Industrial Hygiene and Toxicology, J. Wiley & Sons [T02713]
Beard RR and Noe JT (1981): Aliphatic and Alicyclic Amines, in: Patty's Industrial Hygiene and Toxicology, Vol. 2 (Toxicology), chapter 44, pp. 3135-3173, John Wiley & Sons [T01289]
JECFA (2006): Evaluation of Certain Food Additives: 65the report. WHO Technical Report Series 934, Genf [ T04510]
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.
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