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EC number: 904-693-9 | 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 in vitro / ex vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- October 2019 - February 2020
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Justification for type of information:
- The information is used to support the read across of Terpinyl Acetate multi from Terpineol multi
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
Materials and methods
- Objective of study:
- metabolism
- Principles of method if other than guideline:
- Blank Wistar Han mix-gender rat plasma and whole blood with K2 EDTA as anticoagulant was obtained. Stability of Terpinyl acetate was evaluated in rat plasma and blood in two separate experiments. Both of the above mentioned experiments were performed in duplicate to prove the reproducibility. In both experiments rat K2EDTA matrix was spiked with analyte solution to achieve initial concentration at 50 μg/mL. The spiked matrix was kept at 37 °C. The spiked matrix samples were aliquoted at multiple time points between 0 and at least 4 hours and processed according to the established bioanalytical procedure (GC-MS MS).
In the same way Terpinyl Acetate multi was spiked to aqueous solution of pH2, 4 and 7 and the degradation was determined in the same way. - GLP compliance:
- no
Test material
- Reference substance name:
- Reaction mass of 1-methyl-4-(propan-2-ylidene)cyclohexyl acetate and 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
- EC Number:
- 904-693-9
- Molecular formula:
- C12H20O2
- IUPAC Name:
- Reaction mass of 1-methyl-4-(propan-2-ylidene)cyclohexyl acetate and 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
- Test material form:
- liquid
Constituent 1
- Radiolabelling:
- no
Test animals
- Details on species / strain selection:
- This is an in vitro study using blank Wistar Han mix-gender rat blood and plasma
- Sex:
- not specified
Administration / exposure
Doses / concentrations
- Dose / conc.:
- 50 other: ug/ml (mg/l)
Results and discussion
Toxicokinetic / pharmacokinetic studies
Toxicokinetic parametersopen allclose all
- Key result
- Test no.:
- #1
- Toxicokinetic parameters:
- half-life 1st: 50.7 minutes
- Remarks:
- plasma
- Key result
- Test no.:
- #2
- Toxicokinetic parameters:
- half-life 1st: 8.75 minutes
- Remarks:
- Aqueous solutions pH2
- Key result
- Test no.:
- #3
- Toxicokinetic parameters:
- half-life 1st: 7.49 minutes
- Remarks:
- Aqueous solutions pH4
- Key result
- Test no.:
- #4
- Toxicokinetic parameters:
- half-life 1st: 10.3 minutes
- Remarks:
- Aqueous solutions pH7
- Key result
- Toxicokinetic parameters:
- half-life 1st: > 210 minutes
- Remarks:
- denaturated plasma
Metabolite characterisation studies
- Metabolites identified:
- not measured
- Details on metabolites:
- In the current test set up no degradation product(s) of Terpinyl acetate multi were found, while in denaturated plasma Terpinyl acetate multi (alpha and gamma) were recovered. Therefore the absence of Terpineol and other products are considered due to the limitation of the test method used. Further work will be ongoing.
Any other information on results incl. tables
The results from Terpinyl Acetate multi (gamma and alpha) are presented in the following table
Plasma 50 µg/mL |
|||
Name |
Time (min) |
Response TA gamma |
Response TA alpha |
Blank Plasma |
35 |
54 |
|
QC-Plasma R(WH) t=240 min-1 |
240 |
14030 |
31692 |
QC-Plasma R(WH) t=240 min-2 |
240 |
25235 |
59035 |
QC-Plasma R(WH) t=120 min-1 |
120 |
43127 |
97085 |
QC-Plasma R(WH) t=120 min-2 |
120 |
41487 |
93463 |
QC-Plasma R(WH) t=60 min-1 |
60 |
89942 |
204366 |
QC-Plasma R(WH) t=60 min-2 |
60 |
90536 |
205301 |
QC-Plasma R(WH) t=30 min-1 |
30 |
131107 |
287963 |
QC-Plasma R(WH) t=30 min-2 |
30 |
105472 |
228612 |
QC-Plasma R(WH) t=15 min-1 |
15 |
118695 |
259819 |
QC-Plasma R(WH) t=15 min-2 |
15 |
100245 |
217221 |
QC-Plasma R(WH) t=9 min-1 |
9 |
121915 |
269120 |
QC-Plasma R(WH) t=9 min-2 |
9 |
124234 |
275049 |
QC-Plasma R(WH) t=6 min-1 |
6 |
141884 |
316293 |
QC-Plasma R(WH) t=6 min-2 |
6 |
166332 |
371893 |
QC-Plasma R(WH) t=3 min-1 |
3 |
141875 |
318123 |
QC-Plasma R(WH) t=3 min-2 |
3 |
116621 |
259510 |
QC-Plasma R(WH) t=1 min-1 |
1 |
152831 |
342982 |
QC-Plasma R(WH) t=1 min-2 |
1 |
178652 |
402596 |
QC-Plasma R(WH) t=0 min-1 |
0 |
171461 |
386289 |
QC-Plasma R(WH) t=0 min-2 |
0 |
185729 |
419585 |
Table2Peak area instrument response of Terpinyl acetate alpha and gamma isomers of samples aliquoted at different time points from spiked blood.
Blood 50 µg/mL |
|||
Name |
Time (min) |
Response TA gamma |
Response TA alpha |
Blank Plasma |
22 |
179 |
|
QC-Blood R(WH) t=240 min-1 |
240 |
43684 |
94716 |
QC-Blood R(WH) t=240 min-2 |
240 |
30814 |
64668 |
QC-Blood R(WH) t=120 min-1 |
120 |
70343 |
151922 |
QC-Blood R(WH) t=120 min-2 |
120 |
61753 |
132424 |
QC-Blood R(WH) t=60 min-1 |
60 |
75564 |
162611 |
QC-Blood R(WH) t=60 min-2 |
60 |
72902 |
155776 |
QC-Blood R(WH) t=30 min-1 |
30 |
89811 |
195186 |
QC-Blood R(WH) t=30 min-2 |
30 |
96779 |
210157 |
QC-Blood R(WH) t=15 min-1 |
15 |
111385 |
238551 |
QC-Blood R(WH) t=15 min-2 |
15 |
90042 |
190433 |
QC-Blood R(WH) t=9 min-1 |
9 |
112311 |
244318 |
QC-Blood R(WH) t=9 min-2 |
9 |
104542 |
225536 |
QC-Blood R(WH) t=6 min-1 |
6 |
122965 |
270586 |
QC-Blood R(WH) t=6 min-2 |
6 |
128977 |
285491 |
QC-Blood R(WH) t=3 min-1 |
3 |
105291 |
232263 |
QC-Blood R(WH) t=3 min-2 |
3 |
99631 |
219965 |
QC-Blood R(WH) t=1 min-1 |
1 |
108633 |
241289 |
QC-Blood R(WH) t=1 min-2 |
1 |
121681 |
271784 |
QC-Blood R(WH) t=0 min-1 |
0 |
129673 |
289621 |
QC-Blood R(WH) t=0 min-2 |
0 |
119319 |
266485 |
The modelled kinetic parameters are presented below. The figure showing the decrease in time in plasma is in the illustration section. The aqueous results from pH2, 4 and 7 are presented in the study report in table 4,5 and 6 and figures 6.7 and 8.
y = A1*exp(-x/t1) + y0 |
y0 |
A1 |
t1 |
k |
t½ in minutes |
R-Square |
TA at pH 2 |
34270 |
377072 |
12.6 |
7.92E-02 |
8.75 |
0.983 |
TA at pH 4 |
30744 |
433347 |
10.8 |
9.25E-02 |
7.49 |
0.969 |
TA at pH 7 |
32834 |
320195 |
14.8 |
6.75E-02 |
10.3 |
0.967 |
TA in Plasma* |
38592 |
309706 |
73.1 |
1.37E-02 |
50.7 |
0.866 |
*Terpinyl Acetate multi in blood were very similar as in plasma as can be seen from the table above but these data were not modelled yet.
Applicant's summary and conclusion
- Conclusions:
- Terpinyl acetate alpha and gamma are decreased by half within 60 minutes in plasma at a concentration of 50 ug/ml (mg/l). In aqueous solutions the substance has a half-life of ca 10 minutes. This means that Terpinyl Acetate multi will not be in the systemic circulation.
- Executive summary:
The stability of Terpinyl Acetate multi was evaluated in rat plasma and blood in two separate experiments. Both these experiments were performed in duplicate. In both experiments rat k2 -EDTA matrix was spiked with analyte solution to achieve an initial concentration at 50 ug.ml. The spiked matrix was kept at 37oC. The spiked matrix samples were aliquoted at different time points: 0, 1,3, 6, 9, 15, 30, 60, 120 and 240 minutes. In addition, the stability of Terpinyl Acetate multi was evaluated in aqueous solutions of different pH: 2,4 and 7. Results: Two peaks were seen in the chromatogram: Terpinyl Acetate alpha and gamma presumably being the two key constituents. The substance decreased steadily. DT50 in plasma was calculated to be ca 50 minutes for both constituents. The DT50 regression line for plasma is modelled from the equation: y=A1 (response value)*(exp(-x/t1)+y: A=309706 (response value)*exp(-x/t1=73.1)+y=0 = 38592, k=0.0137 and r2 0.866. In the control where proteins including esterases were denaturated no decrease of Terpinyl Acetate alpha or gamma was seen. The degradation product(s) could not yet be captured in the chromatograms and was considered to be due to the limitation of the method. Further work is ongoing to detect the degradation products. In aqueous solutions the decrease of Terpinyl Acetate multi was <=10 minutes. Conclusion: Terpinyl Acetate is not stable in plasma and aqueous solutions and therefore no Terpinyl Acetate multi will be in the systemic circulation. Due to the absence of any metabolite/degradation product further work is needed to know what these are. Further work is currently initiated.
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