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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 204-498-2 | CAS number: 121-79-9
- 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
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2017-12-13 - 2018-03-21
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 201702001
- Expiration date of the lot/batch: February 05, 2020
- Purity: 99.73% according to CoA
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At 20°C ± 5°C in the dark - Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products:
Preliminary Test (tier 1):
Proposed sampling points: 0, 3, 24, 120 h.
The test item will be incubated at 50°C at three different pH values (pH 4.0, 7.0 and 9.0). If less than 10% hydrolysis will be observed after 5 days (corresponding to a half-life time of t½ (25°C) > 1 year = the test substance was considered to be hydrolytically stable) of incubation no additional testing is required otherwise the main test will be performed with the specific pH-value.
Hydrolysis of unstable substances (tier 2):
The higher tier test was performed at the pH-values at which the test substance was found unstable in the preliminary test. The buffered solutions of the test substance should be thermostated at the selected temperatures. For each pH-value 10 data points (0h, 6h, 12h, 24h, 1d, 2d, 3d, 4d, 5d, 7d, 14d) were sampled so that the test item degradation was expected to be within the range 10 % to 90 %.
- Sampling method: Duplicate incubation flasks will be taken at each sampling time point. The test item and relevant hydrolysis products were analysed by an appropriate HPLC method. Aqueous test solution samples were directly injected in to the HPLC.
- Sampling intervals/times for pH measurements:
The pH of each test solution will be determined at least once in course of the study (e.g. at test start).
- Sampling intervals/times for sterility check: A sterility confirmation test will be carried out at least once in course of the study. A commercially available dip slide kit (e.g. Hycon GK-T/HS, Heipha Dr. Müller GmbH, Eppelheim, Germany) will be used for a total count of microorganisms and to determine the total count of yeast and moulds.
- Sample storage conditions before analysis: At each sampling time point the samples will be measured directly or stored in a freezer until measurement.
- Other observation, if any (e.g.: precipitation, color change etc.): None - Buffers:
- Sterile aqueous solutions buffered at pH 4, 7 and 9:
- pH 4: 0.05 M phthalate buffer (20 mL NaOH (0.1 M) was added to 250 mL potassium dihydrogenphosphate (0.1 M). The solution was filled up to 1000 mL with pure water.)
- pH 7: 0.05 M phosphate buffer (135 mL NaOH (0.1 M) was added to 250 mL potassium dihydrogenphosphate (0.1 M). The solution was filled up to 500 mL with pure water. 296 mL NaOH (0.1 M) was added to 500 mL potassium dihydrogenphosphate (0.1 M). The solution was filled up to 1000 mL with pure water.
- pH 9: 0.05 M boric acid buffer (107 mL NaOH (0.1 M) was added to 250 mL of a solution of boric acid (0.1 M) in potassium chloride (0.1 M). The solution was filled up to 500 mL with pure water.
213 mL NaOH (0.1 M) was added to 500 mL of a solution of boric acid (0.1 M) in potassium chloride (0.1 M). The solution was filled up to 1000 mL with pure water.) - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: glass flasks (hermetically closed)
- Sterilisation method: Degased buffer solutions and the used glassware were sterilised by using an autoclave (20 min at 121°C) or by heating (> 3 h at 180°C) prior to application.
- Lighting: n.a., incubation in the dark
- Measures taken to avoid photolytic effects: incubation in the dark
- Measures to exclude oxygen: To avoid oxidation the buffer solutions were purged with inert gas (nitrogen) prior to sterilisation.
- Details on test procedure for unstable compounds: n.a.
- If no traps were used, is the test system closed: yes
- Is there any indication of the test material adsorbing to the walls of the test apparatus? No
TEST MEDIUM
- Volume used/treatment
A blank sample (2 replkicates) for each pH was prepared which consisted of the buffer solution (without application of the test item).
* Preliminary test (Tier 1): 8 samples per pH level inclusive blanks
* Main test (Tier 2):
- pH 7: 20°C: 20 samples inclusive blanks; 40°C: 16 samples inclusive blanks; 50°C: 16 samples inclusive blanks
- pH 9: 20°C: 20 samples inclusive blanks; 40°C: 16 samples inclusive blanks; 50°C: 20 samples inclusive blanks
- Kind and purity of water: Deionised water
- Preparation of test medium: Deionised water and analytical grade chemicals were used; the buffers were sterilised
- Renewal of test solution: No
- Identity and concentration of co-solvent: None
OTHER TEST CONDITIONS
- Adjustment of pH: none; test media were buffered (pH 4 and 7) according to the guideline; pH was measured with a pH-meter with an accuracy of 0.01 units and pH was adjusted to the nominal pH value ± 0.02 units.
- Dissolved oxygen: No data - Number of replicates:
- two
- Positive controls:
- no
- Negative controls:
- no
- Statistical methods:
- Kinetic analysis and calculation of DT50 and DT90 values were performed using Cake (Version 3.2)
- Preliminary study:
- Preliminary test (Tier 1): The test item was found to be hydrolytically stable at pH 4 (DT50 > 1 year at 25°C) and hydrolytically unstable at pH 7 and 9.
- Transformation products:
- not specified
- Remarks:
- Expected degradation products are gallic acid and propanol.
- % Recovery:
- 34.1
- pH:
- 7
- Temp.:
- 20 °C
- Duration:
- 17 d
- % Recovery:
- < 5
- pH:
- 7
- Temp.:
- 40 °C
- Duration:
- 6 d
- % Recovery:
- < 5
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 6 d
- % Recovery:
- 39.7
- pH:
- 9
- Temp.:
- 20 °C
- Duration:
- 10 d
- % Recovery:
- < 5
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- 6 d
- % Recovery:
- < 5
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 6 d
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.005 h-1
- DT50:
- 141 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.004 h-1
- DT50:
- 80 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0.002 h-1
- DT50:
- 319 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 40 °C
- Hydrolysis rate constant:
- 0.051 h-1
- DT50:
- 13.6 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.125 h-1
- DT50:
- 5.6 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0.004 h-1
- DT50:
- 176 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 40 °C
- Hydrolysis rate constant:
- 0.082 h-1
- DT50:
- 8.4 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 50
- Hydrolysis rate constant:
- 0.249 h-1
- DT50:
- 2.8 h
- Type:
- (pseudo-)first order (= half-life)
- Details on results:
- TEST CONDITIONS
- pH, sterility, temperature, and other experimental conditions maintained throughout the study: pH not monitored; sterility maintained due to design of test vessels, temperature maintained
- Anomalies or problems encountered (if yes): No data
MAJOR TRANSFORMATION PRODUCTS: Yes: is not yet specified
MINOR TRANSFORMATION PRODUCTS: Yes: is not yet specified.
- Validity criteria fulfilled:
- yes
- Conclusions:
- Propyl gallate is hydrolytically stable at pH 4 (DT50 > 1 year at 25°C) but hydrolytically unstable at pH 7 and 9:
- pH 7: k = 0.005 h-1 ; DT50 = 141 h (6 d);
- pH 9: k = 0.009 h-1; DT50 = 80 h (3 d) - Executive summary:
Hydrolysis of propyl gallate was studied in the dark in sterile aqueous buffered solutions at pH 4 (phthalate buffer), pH 7 (phosphate buffer) and pH 9 (boric acid buffer). The experiment was conducted in accordance with the OECD 111 (2004), and in compliance with the GLP standards. Quantification of the test item was conducted using HPLC-UV/Vis. For characterisation (specificity) of the test item retention times of the analyte peak from standards and sample solutions were compared (co-chromatography).
Preliminary test:
Samples were incubated at three different pH-values and at 50 °C. The test was carried out for 5 days. During incubation the concentration of the test item remained stable at pH 4. In case of pH 7 and 9 recoveries were <LOQ (5% of the nominal applied concentration) after 5 days. Thus the test item can be stated as hydrolytically stable at pH 4 and hydrolytically unstable at pH 7 and 9. The main test (Tier 2) was performed at pH 7 and 9.
Main test – pH 7:
Samples were incubated at 20, 40 and 50°C. The test was carried out for 408, 24 and 8 hours, respectively. During incubation the concentration of the test item decreased. At the end of incubation recoveries (mean) were 34.1% of the nominal applied concentration at 20°C and <LOQ (5% of the nominal applied concentration) at 40 and 50°C.
Hydrolysis rate constants and corresponding DT50and DT90values for the test item were determined for each temperature:
· 20°C: k = 0.002 h-1; DT50= 319 h (13 d); DT90= 1060 h (44 d)
· 40°C: k = 0.051 h-1; DT50= 14 h; DT90= 45 h
· 50°C: k = 0.125 h-1; DT50= 6 h; DT90= 19 h
The hydrolysis rate constant and the corresponding DT50value was calculated for a temperature of 25°C based on the arrhenius parameters:
· 25°C: k = 0.005 h-1;DT50= 141 h (6 d)
Main test – pH 9:
Samples were incubated at 20, 40 and 50°C. The test was carried out for 240, 48 and 8 hours, respectively. During incubation the concentration of the test item decreased. At the end of incubation recoveries (mean) were 39.7% of the nominal applied concentration at 20°C and <LOQ (5% of the nominal applied concentration) at 40 and 50°C.
Hydrolysis rate constants and corresponding DT50and DT90values for the test item were determined for each temperature:
· 20°C: k = 0.004 h-1;DT50= 176 h (7 d); DT90= 586 h (24 d)
· 40°C: k = 0.082 h-1;DT50= 8 h; DT90= 28 h
· 50°C: k = 0.249 h-1;DT50= 3 h; DT90= 9 h
The hydrolysis rate constant and the corresponding DT50value was calculated for a temperature of 25°C based on the arrhenius parameters:
· 25°C: k = 0.009 h-1; DT50= 80 h (3 d)
This study is classified as acceptable and satisfies the guideline requirement for hydrolysis study.
Reference
Description of key information
The present study reported by Strack (2018) investigated the hydrolytic behaviour of propyl gallate in aqueous solutions buffered at pH 4, 7 and 9 according to OECD 111.
The test item was found to be hydrolytically stable at pH 4 (DT50> 1 year at 25°C) and hydrolytically unstable at pH 7 and 9.
The hydrolysis rate constant and the corresponding DT50 value was calculated for a temperature of 25°C based on the Arrhenius parameters:
pH 7: k = 0.005 h-1; DT50= 141 h (6 d) at 25°C;
pH 9: k = 0.009 h-1; DT50= 80 h (3 d) at 25°C
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 141 h
- at the temperature of:
- 25 °C
Additional information
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.