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EC number: 205-527-1 | CAS number: 142-19-8
- 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:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Pre-GLP and pre-OECD test guideline study, but a good documentation
- Justification for type of information:
- refer to analogue justification provided in IUCLID section 13
Data source
Reference
- Reference Type:
- publication
- Title:
- The hydrolysis of flavouring esters by artificial gastrointestinal juices and rat tissue preparations
- Author:
- Longland RC
- Year:
- 1 977
- Bibliographic source:
- Toxicology 8, 197-204
Materials and methods
- Objective of study:
- toxicokinetics
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- To show that allyl hexanoate is hydrolysed by fresh preparations of rat liver and small intestine
- GLP compliance:
- no
Test material
- Reference substance name:
- Allyl hexanoate
- EC Number:
- 204-642-4
- EC Name:
- Allyl hexanoate
- Cas Number:
- 123-68-2
- Molecular formula:
- C9H16O2
- IUPAC Name:
- allyl hexanoate
Constituent 1
- Radiolabelling:
- no
Test animals
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male
Administration / exposure
- Details on study design:
- The animals were killed by cervical dislocation, the abdomen opened and the liver and approx. 10-cm length of small intestine within the region
between 10 and 30 cm from the pylorus removed. Liver homogenate (10%) was prepared in ice-cold 1.15% KCI 1 mM EDTA buffer pH 7.4. The small
intestine was flushed through with ice-cold Krebs—Ringer solution, slit along its length and the mucosal surface removed. Mucosal homogenate (10%) was prepared in ice-cold oxygenated Krebs—Ringer solution containing glucose (200 mg/100 ml). Hydrolysis studies were commenced immediately after the preparation of the tissue homogenates. The procedure used was similar to that described for the artificial gastrointestinal juices except that portions of samples were removed from the reaction flasks at shorter time intervals; 0, 10, 20 and 30 mM for liver homogenates and 0, 3, 6 and 10 min for intestinal mucosal preparations. Additionally, when ester hydrolysis was found to proceed extremely rapidly, the tissue assays were conducted with diluted tissue preparations.
The 5-mL aliquots removed from the reactions flasks were delivered into ice-cold tubes containing 1.5 g of NaCl, methanol (10 mL) and chloroform
(5 mL). After shaking the tubes vigorously for 2 min, 5 mL of chloroform containing the internal standard was added and the tube further shaken for
30 sec, 5 ml of saturated NaCl solution was then added and the shaking continued for 30 sec. The tube was centrifuged at 5000 rev./min for 10 min and the chloroform layer removed for gas chromatography. Gas—liquid chromatographic analysis was conducted on a Pye series 104 dual flame ionization chromatograph. The columns were 5 feet X 4 mm glass, packed with 100/120 mesh celite impregnated with 10% Carbowax 20 M or with polyethylene glycol adipate. The chromatographs were run isothermally, using nitrogen at 50 ml/rain as the carrier gas.
Results and discussion
Toxicokinetic / pharmacokinetic studies
Toxicokinetic parametersopen allclose all
- Test no.:
- #1
- Toxicokinetic parameters:
- half-life 1st: 3.96 sec (Liver)
- Test no.:
- #2
- Toxicokinetic parameters:
- half-life 1st: 0.096 sec (small intestinal mucosa)
Applicant's summary and conclusion
- Conclusions:
- Allyl hexanoate is rapidly hydrolysed in tissue homogenates of rat liver (half life t1/2=3.96 sec) and rat small intestinal mucosa (half life t1/2=0.096 sec).
- Executive summary:
Male Wistar albino animals were sacrificed, abdomen opened and the liver and approx. 10 cm lengths of small intestine within the region between 10-30 cm from the pylorus removed. Liver homogenate (10%) was prepared in ice-cold 1.15% KCl mM EDTA buffer at pH 7.4 and homogenate from mucosal surface of intestinal segment (10%) was prepared in ice-cold Krebs-Ringer solution containing 2 g glucose/L. Aliquots of homogenates were placed in flasks in a shaking incubator. Test compound was
added and at designated intervals, portions of solution were extracted with NaCl, methanol & chloroform. After extraction, samples were analyzed with gas chromatography. Liver hydrolysis constant = 630 per hour. Rat liver homogenates were found to be 30 times more efficient than artificial pancreatic juice for allyl heptanoate. Small intestinal mucosa hydrolysis constant = 26000 per hour. Hydrolytic activity in the small intestinal mucosa preparation was 1238 times that in artificial pancreatic juice.
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