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EC number: 249-166-8 | CAS number: 28701-67-9
- 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
Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics, other
- Remarks:
- Assessment of the toxicokinetic behaviour of the substance to the extent that could be derived from the relevant available information
- Type of information:
- other: Assessment (literary search)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2020
Materials and methods
- Objective of study:
- toxicokinetics
Test guideline
- Qualifier:
- no guideline followed
- GLP compliance:
- no
Test material
- Reference substance name:
- 3-(isodecyloxy)propylammonium acetate
- EC Number:
- 249-166-8
- EC Name:
- 3-(isodecyloxy)propylammonium acetate
- Cas Number:
- 28701-67-9
- Molecular formula:
- C13H29NO.C2H4O2
- IUPAC Name:
- 3-[(8-methylnonyl)oxy]propan-1-aminium acetate
- Test material form:
- liquid
Constituent 1
- Radiolabelling:
- no
Test animals
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- male/female
Administration / exposure
- Route of administration:
- oral: gavage
- Vehicle:
- not specified
Doses / concentrationsopen allclose all
- Dose / conc.:
- 1 457 other: mg/kg
- Remarks:
- EPA Guideline Series 81-1
LD50 (male), 95 % confidence limits: 1271 to 1670 mg/kg)
- Dose / conc.:
- 1 033 other: mg/kg
- Remarks:
- EPA Guideline Series 81-1
LD50 (female), 95% confidence limits: 881 to 1212 mg/kg)
- Dose / conc.:
- 200 mg/kg bw/day
- Remarks:
- BIO Acute dermal
- Dose / conc.:
- 1 000 mg/kg bw/day
- Remarks:
- BIO acute dermal
- Dose / conc.:
- 2 000 mg/kg bw/day
- Remarks:
- BIO acute dermal
- Dose / conc.:
- 3.48 mg/L air
- Remarks:
- BIO acute inhalation
- Dose / conc.:
- 100 mg/kg bw/day
- Remarks:
- BIO DRFE 14 oral
- Dose / conc.:
- 300 mg/kg bw/day
- Remarks:
- BIO RDFE 14 oral
- Dose / conc.:
- 600 mg/kg bw/day
- Remarks:
- BIO RDFE 14 oral
- Dose / conc.:
- 900 mg/kg bw/day
- Remarks:
- BIO RDFE 14 oral
- Dose / conc.:
- 50 mg/kg bw/day
- Remarks:
- BIO 28 oral
- Dose / conc.:
- 150 mg/kg bw/day
- Remarks:
- BIO 28 oral
- Dose / conc.:
- 300 mg/kg bw/day
- Remarks:
- BIO 28 oral
- Dose / conc.:
- 62.5 mg/kg bw/day
- Remarks:
- BIO RPD screening
- Dose / conc.:
- 125 mg/kg bw/day
- Remarks:
- BIO RPD screening
- Dose / conc.:
- 250 mg/kg bw/day
- Remarks:
- BIO RPD screening
- Details on dosing and sampling:
- TOXICOKINETIC / PHARMACOKINETIC STUDY (Absorption, distribution, excretion)
- Tissues and body fluids sampled (delete / add / specify): urine, faeces, blood, plasma, serum or other tissues, cage washes, bile
- Time and frequency of sampling:
- Other:
METABOLITE CHARACTERISATION STUDIES
- Tissues and body fluids sampled (delete / add / specify): urine, faeces, tissues, cage washes, bile
- Time and frequency of sampling:
- From how many animals: (samples pooled or not)
- Method type(s) for identification (e.g. GC-FID, GC-MS, HPLC-DAD, HPLC-MS-MS, HPLC-UV, Liquid scintillation counting, NMR, TLC)
- Limits of detection and quantification:
- Other:
TREATMENT FOR CLEAVAGE OF CONJUGATES (if applicable):
Results and discussion
Main ADME resultsopen allclose all
- Type:
- absorption
- Results:
- Absorption from gastrointestinal tract for 1 mg dose (%) = 100 (Lipinski's Rule-of-five score (bioavailability) = 0), EQUATION FROM LITERATURE
- Type:
- absorption
- Results:
- Absorption from gastrointestinal tract for 1000 mg dose (%) = 95 (Lipinski's Rule-of-five score (bioavailability) = 0), EQUATION FROM LITERATURE
- Type:
- absorption
- Results:
- Dermal absorption (mg/cm2/event) 0.0179 (EPI DERMWIN)
- Type:
- distribution
- Results:
- Log brain/blood partition coefficient 0.4955 (EQUATION FROM LITERATURE)
Applicant's summary and conclusion
- Executive summary:
The chemical evaluated ( 3-(isodecyloxy)propylammonium acetate )belongs to cationic surfactants. The literature sources mentioned that cationic surfactants are substances of low acute toxicity and exhibit strongly irritation effect exhibit on the mucous membrane of the gastrointestinal tract (SFT 1991,SCCSand others).
This is in agreement with findings of above mentioned studies.
Isomaa and Ekman (1975) stated thatadministrations of quaternary ammonium surfactant to pregnant mice in an ip dose corresponding to 10 or 33% of the LD50 increased the incidence of malformations, principally cleft palate and minor skeletal defects in the skull and sternum. Cationic surfactants are known to affect the permeability of cells and tissues and it is possible that the embryotoxic and teratogenic effects are due to a disturbance of the functional integrity of the placenta.
This is not the case of our chemical.
Isomaa (1975)studied the absorption, distribution and excretion of orally administered [14C]CTAB, (the same quaternary ammonium surfactant mentioned above), in female rats. About 80% of the dose of radioactivity was found in the gastro-intestinal tract 8 hr after administration, only small amounts were found in the blood plasma and about 2% of the administered radioactivity was excreted in the bile during the first 12 hr after treatment. The low levels of radioactivity in the serum and bile, together with the large amounts of radioactivity found in the gastro-intestinal tract, indicated poor intestinal absorption of CTAB. Only small amounts of radioactivity were found in the liver, kidneys, spleen, heart, lungs and skeletal muscle, and the tissue radioactivity declined rapidly. Within 3 days of ingestion, 92% of the administered radioactivity had been excreted in the faeces and 1% in the urine.
These findings are in large extent in agreement with the resulst of studies mentioned in part 2 of assessment report.
QSAR models estimated for the chemical evaluated the poor dermal absorption, very good absorption from gastrointestinal tract and for bioavailability the score 0 (Lipinskiscores of 0 or 1 means that the substance may be bioavailable).
With this last statement we could identify.
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