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EC number: 205-465-5 | CAS number: 141-17-3
- 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 in vitro / ex vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 22 Nov 2012 to 11 Feb 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study (no data on GLP)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
- Objective of study:
- other: hydrolysis in digestive fluid simulants
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: EFSA Note for Guidance for Food Contact Materials Annex 1 to Chapter III MEASUREMENT OF HYDROLYSIS OF PLASTICS MONOMERS AND ADDITIVES IN DIGESTIVE FLUID SIMULANTS (30 Jul 2008)
- Deviations:
- no
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Bis(2-(2-butoxyethoxy)ethyl) adipate
- EC Number:
- 205-465-5
- EC Name:
- Bis(2-(2-butoxyethoxy)ethyl) adipate
- Cas Number:
- 141-17-3
- Molecular formula:
- C22H42O8
- IUPAC Name:
- bis(2-(2-butoxyethoxy)ethyl) adipate
Constituent 1
- Radiolabelling:
- no
Test animals
- Species:
- other: The source of the digestive fluid was not specified in the study report.
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- Not applicable.
Administration / exposure
- Route of administration:
- other: mixing
- Vehicle:
- other: acetonitrile
- Details on exposure:
- For the hydrolysis investigation the ester was dissolved in acetonitrile. This solution was added to the intestinal-fluid simulant tempered to 37°C. The concentration of acetonitrile in the reaction mixture was about 0.1%. Samples were taken after 0, 1, 2 and 4 hours. A naphthalene solution in acetone was added as an internal standard to the samples and the enzyme was precipitated by the addition of ice-cold acetone. After filtration the acetone was evaporated. The aqueous solution was acidified with 0.1 M hydrochloric acid (pH 1.2) and extracted three times with dichloromethane. After addition of an alkane standard (tridecane) and derivatization with N-Methyl-N-(trimethylsilyl) trifluoroacetamide (MSTFA) at 60°C for one hour the concentrated dichloromethane solution was analysed by gas chromatography coupled with a mass spectrometer (GC/MS). Quantification of the ester and the hydrolysis product was performed specifically by external calibration curves.
- Duration and frequency of treatment / exposure:
- 0, 1, 2 and 4 hours
Doses / concentrations
- Remarks:
- Doses / Concentrations:
28.43 ppm
- No. of animals per sex per dose / concentration:
- Not applicable.
The analysis was performed in triplicate. - Control animals:
- no
- Details on dosing and sampling:
- A duplicate of three different concentrations of the alcohol was performed. For the recovery investigations the alcohol was dissolved in acetonitrile. This solution was added to the intestinal-fluid simulant tempered to 37°C. After 4 hours a naphthalene solution in acetone was added as an internal standard to the samples and the enzyme was precipitated by the addition of ice-cold acetone. Work-up and quantification was performed as already described. For the ester Bis-(2-(2-butoxyethoxy)-ethyl)-adipate the recovery was performed also from water as of the quick decrease of the ester in the enzyme solution. Therefore the stock solution of the ester in acetonitrile was added to water, work-up and quantification was done as already described.
Results and discussion
Main ADME resultsopen allclose all
- Type:
- other: Hydrolysis of Bis-(2-(2-butoxyethoxy)-ethyl)-adipate with intestinal-fluid simulant
- Results:
- sampling time 0 h: 28.43 ppm (100%) Ester, 0 ppm Alcohol
- Type:
- other: Hydrolysis of Bis-(2-(2-butoxyethoxy)-ethyl)-adipate with intestinal-fluid simulant
- Results:
- sampling time 1 h: 0.77 ppm (2.72%) Ester, 14.74 ppm Alcohol
- Type:
- other: Hydrolysis of Bis-(2-(2-butoxyethoxy)-ethyl)-adipate with intestinal-fluid simulant
- Results:
- sampling time 2 h: 0.75 ppm (2.63%) Ester, 16.11 ppm Alcohol
- Type:
- other: Hydrolysis of Bis-(2-(2-butoxyethoxy)-ethyl)-adipate with intestinal-fluid simulant
- Results:
- sampling time 4 h: 0.72 ppm (2.55%) Ester, 15.01 ppm Alcohol
Toxicokinetic / pharmacokinetic studies
- Details on absorption:
- Not applicable.
- Details on distribution in tissues:
- Not applicable.
- Details on excretion:
- Not applicable.
Metabolite characterisation studies
- Metabolites identified:
- yes
- Details on metabolites:
- The alcohol being released during the hydrolysis reaction is Diethylene glycol mono-n-butyl ether, CAS 112-34-5, MW=162.23 g/mol. Per 1 equivalent ester 2 equivalents alcohol are released.
Any other information on results incl. tables
Table. 1: Quantitative results of the hydrolysis reaction analysis
Contact time |
Ester |
Alcohol |
|
[h] |
[ppm] |
[%] |
[ppm] |
0 |
28.43 |
100.00 |
0.00 |
1 |
0.77 |
2.72 |
14.74 |
2 |
0.75 |
2.63 |
16.11 |
4 |
0.72 |
2.55 |
15.01 |
Table. 2: Mass balance of the ester hydrolysis reaction
Contact time |
Ester |
Alcohol |
|
[h] |
[µmol] |
[µmol] calc. |
[µmol] exp. |
0 |
0.327 |
0.000 |
0.000 |
1 |
0.009 |
0.636 |
0.545 |
2 |
0.009 |
0.637 |
0.596 |
4 |
0.008 |
0.638 |
0.555 |
* One ester reacts to two alcohols
Table. 3: Results of the recovery experiment
Ester (from pancreatic medium) |
Ester (from water)* |
Alcohol (from pancreatic medium) |
||||||
[ppm] calc. |
[ppm] exp. |
Recovery [%] |
[ppm] calc. |
[ppm] exp. |
Recovery [%] |
[ppm] calc. |
[ppm] exp. |
Recovery [%] |
28.43 |
0.80 |
2.81 |
12.88 |
13.64 |
105.9 |
8.71 |
7.23 |
83.0 |
- |
- |
- |
27.60 |
30.26 |
109.6 |
19.36 |
17.24 |
89.0 |
- |
- |
- |
46.00 |
48.02 |
104.4 |
33.88 |
31.28 |
92.3 |
* As of the quick decrease of the ester in the enzyme solution recovery was performed also from pure water
Conclusion:
The result of the pancreatic digestion of Bis-(2-(2-butoxyethoxy)-ethyl)-adipate shows a decrease of about 97% within 1 hour (recovery experiments indicate a far quicker hydrolysis). No further decrease was measured. The mass balance of this reaction is shown in the table 2; it displays good congruence of expected and measured values.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): other: ≥ 97% of Bis-(2-(2-butoxyethoxy)-ethyl)-adipate is hydrolysed in digestive fluid simulantswithin 1 hour.
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