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EC number: 944-390-9 | CAS number: -
- 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:
- Biotransformation in intestinal-fluid simulant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
- Objective of study:
- metabolism
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Note for Guidance for Food Contact Materials, Annex 1 to Chapter III
- Principles of method if other than guideline:
- Biotransfromation in intestinal-fluid simulant
- GLP compliance:
- no
Test material
- Reference substance name:
- Reaction mass of ethane-1,2-diol and 2-hydroxyethyl formate and ethylene diformate
- EC Number:
- 944-390-9
- Molecular formula:
- not applicable, multiconstituent substance
- IUPAC Name:
- Reaction mass of ethane-1,2-diol and 2-hydroxyethyl formate and ethylene diformate
- Test material form:
- liquid
Constituent 1
Administration / exposure
- Details on study design:
- The test material was dissolved in demineralized water. An aliquot of the solution was transferred to the intestinal-fluid simulant, which was maintained one hour at 37°C with continual agitation. The concentration of the test material in the intestinal fluid-simulant was around 1200 mg/l. After a specified time period the concentrations of ethylene glycol (EG), ethylene glycol monoformate (EGM) and ethylene glycol diformate (EGD) were determined in the hydrolysates via gas chromatography (GC) with a mass selective detector (MS) and quantified using an external standard method composed of five calibration levels. The hydrolysis degree of ethylene glycol monoformate (EGM) and ethylene glycol diformate (EGD) in the intestinal-fluid simulant were calculated. The measurement of hydrolysis in the intestinal-fluid simulant was performed in triplicate.
Preparation of the intestinal fluid simulant
6.800 g of potassium dihydrogen orthophosphate (KH2PO4) were weighed in a 1 litre beaker and dissolved in 250 ml of water. 190 ml of 0.2 M sodium hydroxide (NaOH) were added. The mixture was then shaken. 300 ml of water were added. The mixture was vigorously shaken.
9.994 g of pancreatin extract were weighed into a 200 ml beaker. Ca. 20 ml water were added. The mixture was stirred to make a homogenous paste. Gradually the paste was diluted with small portions of water, and well stirred after each dilution, to give approximately 150 ml of a suspension. The suspension was transferred to the 1 litre beaker. The 200 ml beaker and the funnel were rinsed with water. 0.4983 g of sodium taurocholate were added. The 1 liter beaker was then vigorously shaken. The pH of the solution was 7.13 and was adjusted to 7.55 with a 0.2 M sodium hydroxide solution. The suspension was transferred to a 1 litre volumetric flask. The flask was then filled up to the mark with water. - Details on dosing and sampling:
- Hydrolysis test
50.0 ml of the intestinal-fluid simulant were introduced into a 50 ml flask. The test samples were warmed up in a thermostatic cabinet at 37°C during one hour with continual agitation. This warm-up phase was followed by the hydrolysis study at 37°C for 4 hours maximum. 0.5 ml of the test item stock solution were injected into the 50 ml flask with a pipette. The test samples were placed for 1, 2 or 4 hours at 37°C under continual agitation or analysed immediately.
After homogeneization the solution was filtered through a 30 mm syringe filter (0.2 μm nylon). 150 μl of the filtered solution were pipetted into a 1.5 ml vial and mixed with 1.35 ml acetone before injection into the GC-MS. The measurement of hydrolysis in the intestinal fluid simulant was performed in triplicate. - Statistics:
- The hydrolysis rate constant and the half-life time of ethylene glycol diformate were determined by linear regression of ln(CEGD/CEGD,t=0) versus time [h]. Analysis of the initial time point indicated that the test item had started to hydrolyse prior to analysis.
Results and discussion
Metabolite characterisation studies
- Metabolites identified:
- yes
- Details on metabolites:
- ethane-1,2-diol and formic acid
Any other information on results incl. tables
Hydrolysability of ethylene glycol monoformate and ethylene gylcol diformate in intestinal-fluid simulant
Time [h] |
EGM hydrolysis degree HEGM[%] |
EGD hydrolysis degree HEGD[%] |
0 (measured) |
6.4 |
9.1 |
1 |
10.2 |
81.8 |
2 |
33.6 |
95.1 |
4 |
61.4 |
99.6 |
The concentration of each substance at the beginning of hte hydrolysis study in the intestinal-fluid simulant and at specified time periods.
Time [h] |
EG concentration [mg.l-1] |
EGM concentration [mg.l-1] |
EGD concentration [mg.l-1] |
0 (calculated) |
171.4 |
580.0 |
421.8 |
0 (measured) |
147.7 |
543.1 |
383.6 |
1 |
382.6 |
521.0 |
76.6 |
2 |
504.7 |
385.0 |
20.6 |
4 |
644.0 |
223.7 |
1.6* |
* Value outside the calibration range
The hydrolysis rate constant and the half-life time of ethylene glycol diformate were determined by linear regression of ln(C(EGD)/C(EGD,t=0)) versus time [h]. Analysis of the initial time point indicated that the test item had started to hydrolyse prior to analysis.
At the beginning, the hydrolysis of ethylene glycol monoformate was observed, but also its formation as degradation product of ethylene glycol diformate. This could explain that the observed regression of ln(C(EGM)/C(EGM,t=0)) versus time [h] was not linear. After 1 hour,
81.8% of ethylene glycol diformate were hydrolysed. If it is assumed that at this time the EGM concentration was at the maximum, the hydrolysis rate constant and the half-life time of ethylene glycol monoformate can be determined by linear regression of ln(C(EGM)/C(EGM,t=1)) versus time [h].
The rate constants and half-life times of the hydrolysis of ethylene glycol diformate and ethylene glycol monoformate at 37°C in the intestinal-fluid simulant were calculated.
|
Rate constant k [h-1] |
Half-life time t1/2 [h-1] |
Ethylene glycol diformate |
1.360 |
0.35 |
Ethylene glycol monoformate |
0.277 |
2.40 |
Where
ln0.5 = -1.3596 x t1/2(EGD) - 0.2236
ln0.5 = -0.2774 x (1 + t1/2(EGM)) + 0.2508
Applicant's summary and conclusion
- Conclusions:
- Ethylene glycol diformate has a rate constant of k= 1.360 h-1 and a half-life of t1/2 = 0.35 h
Ethylene glycol monoformate has a rate constant of k= 0.277 h-1 and a half-life of t1/2 = 2.40 h - Executive summary:
The biotransformation of the reaction mass was investigated in an intestinal-fluid simulant. The reaction mass was incubated at 37°C at pH 7.5 for 4 hours. After 0, 1, 2 and 4 hours of incubation the concentrations of ethylene glycol (EG), ethylene glycol monoformate (EGM) and ethylene glycol diformate (EGD) were determined in the hydrolysates via gas chromatography (GC) with a mass selective detector (MS) and quantified using an external standard method composed of five calibration levels. The hydrolysis degree of ethylene glycol monoformate (EGM) and ethylene glycol diformate (EGD) in the intestinal-fluid simulant were calculated. The measurement of hydrolysis in the intestinal-fluid simulant was performed in triplicate.
The rate constant k and the half-life t1/2 were k= 1.360/h and t1/2 = 0.35 h for ethylene glycol diformate and k= 0.277/h and t1/2 = 2.40 h for ethylene glycol monoformate.
The results of the study demonstrate rapid transformation of ethylene glycol diformate into ethylene glycol monoformate and formic acid and further transformation of ethylene glycol monoformate into ethan-1,2-diol and formic acid.
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