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EC number: 264-598-7 | CAS number: 64001-15-6
- 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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 22/01/1996-27/02/1996
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study was conducted according to OECD TG 301F in compliance with GLP, without deviations that influence the quality of the results.
- Justification for type of information:
- The information is used for read across to Cyclacet Dihydro.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 F (Ready Biodegradability: Manometric Respirometry Test)
- Deviations:
- no
- GLP compliance:
- yes
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, non-adapted
- Details on inoculum:
- Fresh activated sludge from a biological waste water treatment plant treating predominantly domestic sewage (City of Geneva, Aire) was used.
The sludge is collected in the morning, washed three times in the mineral medium (by centrifuging at 1000 g for 10 minutes, discarding the supernatant and resuspending in mineral medium) and kept aerobic until being used on the same day.
- Concentration of sludge: dry weight of suspended solids: 4.919 g/l - Duration of test (contact time):
- 28 d
- Initial conc.:
- 100 mg/L
- Based on:
- test mat.
- Parameter followed for biodegradation estimation:
- O2 consumption
- Details on study design:
- TEST CONDITIONS
- Composition of medium: The water used during this study is deionised water containing less than 10 mg/l dissolved organic carbon. The medium was prepared according to the method mentioned in the guidance.
- Test temperature: 22°C
- pH: 7.36-8.30
- pH adjusted: yes, where necessary at the start of the test to pH 7.4 +/- 0.2 with phosphoric acid or potassium hydroxide
- Suspended solids concentration: 30 mg/l (dry weight)
TEST SYSTEM
- Culturing apparatus: The respirometer used during this study is a SAPROMAT D 12, made by J. M. VOITH GmbH, D-7920 Heidenheim.
- Number of culture flasks/concentration: 2
- Details of trap for CO2 and volatile organics if used: About 2 g of soda lime was placed in an attachment of the stopper.
SAMPLING
Sampling of test concentrations not reported.
Everyday the oxygen consumption of each flask is recorded and correct temperature and stirring are checked.
At the end of the test period (normally 28 days), the pH of each flask is measured again.
CONTROL AND BLANK SYSTEM
- Inoculum blank: yes, 2 replicates containing inoculum but no test substance or reference substance
- Toxicity control: A pair of flasks of the volumetric respirometer (SAPROMAT) are filled with: mineral medium + test chemical (100 mg/l) + aniline
(100 mg/l) + inoculum
- Other: Reference substance control containing mineral medium + aniline (100 mg/l) + inoculum
- Reference substance:
- aniline
- Remarks:
- Merck, Darmstadt, Germany, Art. No. 1261, Purity min. 99.5%
- Preliminary study:
- Not relevant
- Test performance:
- The curve obtained with Aniline alone and with VERDYL ACETATE + Aniline showed no toxic effects of VERDYL ACETATE on the micro-organisms at the test concentration.
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- 10
- Sampling time:
- 28 d
- Remarks on result:
- other: Mean of 2 flasks
- Details on results:
- Details on measured test substance concentrations, pH and the measured BOD values and corresponding % degradation are included in the overall remarks. The biodegradation curve is included as attached background material.
- Results with reference substance:
- The degradation of aniline was >40% after 7 days (79%) and >65% after 14 days (85%).
- Validity criteria fulfilled:
- yes
- Remarks:
- oxygen uptake of inoculum blank <60 mg/l, difference between replicates <20%, in toxicity control showed no inhibition of biodegradation of reference substance by test substance
- Interpretation of results:
- other: Not readily biodegradable
- Conclusions:
- VERDYL ACETATE undergoes only 10 % biodegradation after 28 days in the test conditions.
Thus, VERDYL ACETATE should be regarded as not readily biodegradable under the conditions in this test. - Executive summary:
The Ready Biodegradability of Cyclacet was determined by the Manometric Respirometry Test according to the OECD Guidelines for Testing of Chemicals, Method No. 301 F. The concentration tested was 100 mg/l substance, with an activated sludge concentration of 30 mg/l. The validity criteria for the test were met. The substance undergoes 10 % biodegradation after 28 days in the test conditions. Therefore the substance should be regarded as not readily biodegradable under the conditions in this test.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The value is derived based on read across
- Justification for type of information:
- Cyclacet Dihydro will have the same biodegradation potential (10%) as Cyclacet in view of high similarity in structure: backbone and functional group, resulting in the same non-ready biodegradability.
Structural similarities and differences: Cyclacet Dihydro, the target, and the source chemical Cyclacet have identical structural features consisting of a tricyclodecan-e/yl fused ring structure and an acetic ester attached at the bridged hexyl ring. The difference is that Cyclacet Dihydro (as presented in the name) does not have a double bond in the 5-ring which Cyclacet has.
Bioavailability: The molecular weight, appearance, physic-chemical properties all indicate a similar bioavailability and as such will not be different between these two.
Biodegradation: Primary biodegradation will start by cleaving the ester-bond resulting in acetic acid and the tricyclodecan/yl/al fused ring with an alcohol group on where the ester bond was cleaved (Wheelock et al., 2008). The 10% biodegradation reflects the degradation of this acetic ester. The tricylodecan-e/-yl ring will be more resistant to biodegradation. The double bond in the pentyl-ring is not anticipated to make a difference in the biodegradation.
Uncertainty: There is no uncertainty in the prediction based on the same functional group and very similar backbone. This is expressed also in BIOWIN 5 and 6 predictions. For Cyclacet Dihydro have ready biodegradability probability of 0.64 and 0.48, respectively, while Cyclacet has 0.62 and 0.39, respectively. - Reason / purpose for cross-reference:
- read-across source
- Key result
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 10
- Sampling time:
- 28 d
- Remarks on result:
- other: Not ready biodegradable
- Executive summary:
Cyclacet Dihydro has the same biodegradation potential (10%) as Cyclacet in view of high similarity in structure: backbone and functional group, resulting in the same non-ready biodegradability.Structural similarities and differences:Cyclacet Dihydro, the target, and the source chemical Cyclacet have identical structural features consisting of a tricyclodecan-e/-yl, respectively, fused ring structure and an acetic ester attached at the bridged hexyl ring. The difference is that Cyclacet Dihydro (as presented in the name) does not have a double bond in the 5-ring which Cyclacet has.
Bioavailability: The molecular weight, appearance, physic-chemical properties all indicate a similar bioavailability and as such will not be different between these two.
Biodegradation potential: Primary biodegradation will start by cleaving the ester-bond resulting in acetic acid and the tricyclodecan-e/-yl fused ring with an alcohol group on where the ester bond was cleaved, based on the abundancy of carboxyl-esterases (Wheelock et al., 2008). The 10% biodegradation reflects the degradation of this acetic ester. The tricylodecan-e/-yl will be more resistant to biodegradation. The double bond in the pentyl-ring is not anticipated to make a difference in the biodegradation.
Uncertainty: There is no uncertainty in the prediction based on the same functional group and very similar backbone. This is expressed also in BIOWIN 5 and 6 predictions. For Cyclacet Dihydro have ready biodegradability probability of 0.64 and 0.48, respectively, while Cyclacet has 0.62 and 0.39, respectively. If anything Cyclacet Dihydro might be more biodegradable compared to Cyclacet.
Referenceopen allclose all
Actual concentrations and pH:
Flask No. |
Concentrations (mg/l |
pH |
||
Test substance |
Reference substance |
Initial |
Final |
|
2/1 |
0 |
101.6 |
7.47 |
8.30 |
2/2 |
0 |
103.0 |
7.40 |
8.20 |
2/3 |
0 |
0 |
7.40 |
7.56 |
2/4 |
0 |
0 |
7.37 |
7.36 |
2/5 |
100.8 |
0 |
7.37 |
7.45 |
2/6 |
103.4 |
0 |
7.37 |
7.36 |
2/7 |
100.7 |
104.0 |
7.38 |
8.13 |
2/8 |
105.3 |
102.7 |
7.43 |
8.27 |
Biological Oxygen Demand (BOD, mg 02/l, adjusted to nominal concentrations):
|
|
Days: |
5 |
7 |
10 |
14 |
21 |
28 |
BOD Sludge |
1stflask |
B1 |
20.0 |
23.0 |
26.0 |
28.0 |
31.0 |
33.0 |
2ndflask |
B2 |
21.0 |
24.0 |
28.0 |
31.0 |
36.0 |
39.0 |
|
Mean |
B |
20.5 |
23.5 |
27.0 |
29.5 |
33.0 |
36.0 |
|
BOD Test Subst. |
1stflask |
C1 |
42.8 |
45.8 |
49.8 |
53.8 |
58.8 |
60.8 |
2ndflask |
C2 |
39.4 |
44.3 |
49.2 |
53.2 |
57.2 |
59.2 |
|
1stfl. corr. |
C1-B |
22.3 |
22.3 |
22.8 |
24.3 |
25.3 |
24.8 |
|
2ndfl. corr. |
C2-B |
18.9 |
20.8 |
22.2 |
23.7 |
23.7 |
23.2 |
|
% degr. |
1stflask |
D1 |
9 |
9 |
9 |
10 |
10 |
10 |
2ndflask |
D2 |
8 |
8 |
9 |
9 |
9 |
9 |
|
Mean |
D |
8 |
9 |
9 |
10 |
10 |
10 |
B = (B1 + B2) / 2
D1 = 100 * (C1 -B) / ThOD * [S] [S]: Initial test substance concentration (mg/l)
D2 = 100 * (C2 - B) / ThOD * [S]
D = (D1 + D2) / 2
Description of key information
The substance, using read across from Cyclacet, is not considered ready biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
For the substance no information is available on ready biodegradability. Therefore read across is used from the close analogue Cyclacet. First the ready biodegradation information from Cyclacet is presented and thereafter the read across justification
Cyclacet Dihydro (Cas no 64001-15-6)and its biodegradation potential derived from Cyclacet (Cas no generic 54830-99-8)
Cyclacet Dihydro has atricyclodecan-e/-yl fused ring structure to which an acetic-ester is attached (Fig. 1 and data matrix). For this substance no ready biodegradability information is available. In accordance with Article 13 of REACH, lacking information can be generated by means of applying alternative methods such as QSARs, grouping and read-across. For Cyclacet Dihydro the ready biodegradability will be derived from Cyclacet
Hypothesis: Cyclacet Dihydro will have the same biodegradation potential (10%) as Cyclacet in view of high similarity in structure: backbone and functional group, resulting in the same non-ready biodegradability.
Available experimental information: For Cyclacet a reliable OECD TG 301F study is available (GLP and Klimisch 1) in which a biodegradation of 10% was achieved.
Target chemical and source chemical(s)
Chemical structures of the target chemical and the source chemical are shown in the data matrix
Purity / Impurities
The purity and impurities of the target chemical do not indicate other constituents or impurities (all< 10%) that indicated a different biodegradation potential.
Analogue approach justification
According to Annex XI 1.5 read across can be used to replace testing when the similarity can be based on a common backbone and a common functional group. When using read across the result derived should be applicable for C&L and/or risk assessment and it should be presented with adequate and reliable documentation.
In accordance with ECHA guidance (2017, RAAF) Cyclacet is selected as the key source because of the similarities in structure of both substances considering backbone and functional group.
Structural similarities and differences:Cyclacet Dihydro, the target, and the source chemical Cyclacet have identical structural features consisting of a tricyclodecan-e/yl fused ring structure and an acetic ester attached at the bridged hexyl ring. The difference is that Cyclacet Dihydro (as presented in the name) does not have a double bond in the 5-ring which Cyclacet has.
Bioavailability: The molecular weight, appearance, physico-chemical properties all indicate a similar bioavailability and as such will not be different between these two.
Biodegradation: Primary biodegradation will start by cleaving the ester-bond resulting in acetic acid and the tricyclodecan/yl/al fused ring with an alcohol group on where the ester bond was cleaved (Wheelock et al., 2008). The 10% biodegradation reflects the degradation of this acetic ester. The tricylodecan-e/-yl ring will be more resistant to biodegradation. The double bond in the pentyl-ring is not anticipated to make a difference in the biodegradation.
Uncertainty: There is no uncertainty in the prediction based on the same functional group and very similar backbone. This is expressed also in BIOWIN 5 and 6 predictions. For Cyclacet Dihydro have ready biodegradability probability of 0.64 and 0.48, respectively, while Cyclacet has 0.62 and 0.39, respectively. In accordance with ECHA guidance (RAAF, 2017) the read across receives score 5.
Data matrix
See Table at the end of the section.
Conclusions for environmental fate and classification and labelling
Fate: Cyclacet is non-ready biodegradable and therefore Cyclacet Dihydro is not ready biodegradable using read across from Cyclacet
Classification and Labelling: Cyclacet Dihydro is considered not ready biodegradable.
Table 1: Data matrix presenting the characteristics of Cyclacet Dihydro and its source Cyclacet to support the read across for biodegradation
Common names |
Cyclacet Dihydro |
Cyclacet |
Chemical structures |
||
|
Target |
Source |
Cas no of the main isomer Cas no of the generic |
64001-15-6 |
2500-83-6 (5-yl) 54830-99-8 |
Einecs |
264-598-7 |
911-369-0 |
REACH registration |
REACH registered for 2018 |
REACH registered |
Empirical formula |
C12H18O2 |
C12H16O2 |
Smiles |
CC(=O)OC3CC1CC3C2CCCC12 |
CC(=O)OC3CC1CC3C2CC=CC12 |
Physico-chemical data |
|
|
Molecular weight |
194 |
192 |
Physical state |
liquid |
liquid |
Vapour pressure Pa (measured) |
2.2 |
2.1 |
Water solubility mg/l (measured) |
89 |
186 |
Log Kow (measured) |
4.5 |
3.9 |
Log Kow (calculated – ECOSAR) |
3.1 |
2.85 |
Fate |
|
|
Biodegradability % Readily Biodegradable
|
Read across from Cyclacet |
10 No
|
References
Wheelock, C.E., Philips, B.M., Anderson, B.S., Miller, J.L., Miller, M.J., and Hammock, B.D., 2008, Application of carboxylesterase activity in environmental monitoring and toxicity identification evaluations, (TIEs), in Reviews of Environmental Contamination an Toxicology, ed. Whitacre, 117-178, D.M., Springer.
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.
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