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EC number: 939-514-3 | CAS number: 1471312-26-1
- 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:
- 2012-11-21 until 2013-04-08
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: non-GLP
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
- Objective of study:
- other: Hydrolysis study
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: EFSA guidelines: Note for Guidance for Food Contact Materials
- Principles of method if other than guideline:
- Measurement of hydrolysis of additives in digestive fluid simulants (intestinal and gastric juice)
- GLP compliance:
- no
Test material
- Reference substance name:
- Propanoic acid, 2-hydroxy-, C12-13-branched-alkyl esters
- EC Number:
- 939-514-3
- Cas Number:
- 1471312-26-1
- Molecular formula:
- C15H30O3 or C16H32O3
- IUPAC Name:
- Propanoic acid, 2-hydroxy-, C12-13-branched-alkyl esters
- Test material form:
- other: liquid
- Details on test material:
- - Name of test material (as cited in study report): Propanoic acid, 2-hydroxy-, C12-13-branched alkyl esters
as control additionally the hydrolysis product: C12-13-branched Alcohols
- Substance type: UVCB
- Physical state: liquid
Constituent 1
Administration / exposure
- Details on study design:
- The following investigations were performed:
- Purity control with GC/FID of the C12, 13-branched alcohols and of the Propanoic acid, 2-hydroxy-, C12-13-branched alkyl esters,
- Hydrolysis in gastric fluid simulants with GC/MS of the Propanoic acid, 2-hydroxy-, C12-13-branched alkyl esters after 0, 1, 2 and 4 hours at 37 °C.
- Hydrolysis in digestive fluid simulants with GC/MS of the Propanoic acid, 2-hydroxy-, C12-13-branched alkyl esters after 0, 1, 2 and 4 hours at 37 °C.
Gastric-juice simulant:
Dilute 0.1 M hydrochloric acid standard solution to a concentration of 0.07 M. The pH of the solution should be 1.2+- 0.1.
Intestinal-fluid simulant:
Dissolve 6.8 g of potassium dihydrogen orthophosphate (KH2PO4) in 250 ml of water, transfer to a 1 L volumetric flask and add 190 ml of 0.2 M sodium hydroxide (NaOH). Add 400 ml of water and shake briefly to mix. Weight 10.0 g of pancreatin extract into a 250 ml beaker. Add a little water, and stir to make a stiff, homogenous paste. Gradually dilute the paste with small portions of water, stirring well after each dilution, to give approximately 150 ml of a lump-free solution. Transfer the solution to the volumetric flask, rinsing the beaker and funnel with water. Add 0.5 g of sodium taurochlorate, gently shake the flask and make the volume up to the neck of the flask. Adjust the pH of the solution to 7.5 +- 0.1 with 0.2 M sodium hydroxide (NaOH). Make the volume up to the mark with water and shake thoroughly to mix.
Results and discussion
Main ADME resultsopen allclose all
- Type:
- other: ester hydrolysis in gastric juice simulant
- Results:
- decrease of Propanoic acid, 2-hydroxy-, C12-13-branched alkyl esters of about 11 to 23% within 1 hour, and about 36 to 66 % within 4 hours in the gastric medium for (di)lactate esters
- Type:
- other: ester hydrolysis in intestinal fluid simulant
- Results:
- decrease of Propanoic acid, 2-hydroxy-, C12-13-branched alkyl esters of about 75 % to ≥ 95 % within 1 hour, and about 80 % to ≥ 95 % within 4 hours for (di)lactate esters
Applicant's summary and conclusion
- Conclusions:
- The overall results show a decrease of the Propanoic acid, 2-hydroxy-, C12-13-branched alkyl esters of about 11 to 23% within 1 hour, and about 36 to 66 % within 4 hours in the gastric medium for (di)lactate esters.
In the pancreatic digestion was seen a decrease of the Propanoic acid, 2-hydroxy-, C12-13-branched alkyl esters of about 75 % to ≥ 95 % within 1 hour, and about 80 % to ≥ 95 % within 4 hours for (di)lactate esters.
The mass balance of this reaction displays good congruence of expected and measured values for the lactate esters. - Executive summary:
The overall results show a decrease of the Propanoic acid, 2-hydroxy-, C12-13-branched alkyl esters of about 11 to 23% within 1 hour, and about 36 to 66 %within 4 hours in the gastric medium for (di)lactate esters. In the pancreatic digestion was seen a decrease of the Propanoic acid, 2-hydroxy-, C12-13-branched alkyl esters of about 75 % to ≥ 95 % within 1 hour, and about 80 % to ≥ 95 % within 4 hours for (di)lactate esters.
The mass balance of this reaction displays good congruence of expected and measured values for the lactate esters.
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