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EC number: 290-058-5 | CAS number: 90063-97-1 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Mentha arvensis, Labiatae.
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Estimation based on calculations by validated QSAR model.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- NCSs, consisting of a number of constituents, do not have one single BCF value but a range of BCF values. BCF tests are not adapted to such complex UVCBs such as the NCSs, because of analytical monitoring issues (existing test protocols have been developed for single molecules which are preferably radio –labelled). Therefore a constituent approach is followed.
The range of BCF can be based on calculated or measured values of the individual constituents. Very few measured BCF values are available for the individual constituents. However, for all constituents, calculated BCF values can be derived by QSAR from log Kow.
A drawback of every QSAR is that biotransformation is not included. The calculation method for BCF is generally realistic for the actual value, unless biotransformation occurs. When a substance is subject to biotransformation, the actual BCF will be lower than the calculated BCF. Thus, BCF calculations by QSAR are a worst case approach.
The TGD provides the following information about the different QSAR models available for estimating BCF from log Kow: “Among the QSAR models based on the correlation between BCF and Kow, Meylan et al. (1999) compared their proposed fragment-based approach with a linear (Veith & Kosian, 1983) and bilinear (Bintein et al., 1993) model, using a data set of 610 non-ionic compounds. The fragment method provided a considerably better fit to the data set of recommended BCF values than the other two methods, as shown by the higher R2 value, but more importantly, a much lower SD and ME.” This supports the use of the more recently developed model by Meylan et al (1999) instead of the older model according to Veith et al (1979). The Meylan QSAR is used by the EPIWIN program and is validated. Attention is paid that each constituent falls within the applicability domain of the QSAR. - GLP compliance:
- no
- Key result
- Type:
- other: log BCF
- Value:
- 1.47 - 4.282 dimensionless
- Basis:
- whole body w.w.
- Calculation basis:
- other: QSAR model based on log Kow
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The range of log BCF values for the known constituents of cornmint oil is 1.47 - 4.282.
- Executive summary:
The log BCF values of known cornmint oil constituents were estimated using the QSAR BCFBAF v 3.00. Log Kow estimates were calculated using the corresponding log Kow value estimated by KOWWIN (see chapter 4.7)
The range of log BCF values for the known constituents of cornmint oil was found to be 1.47 - 4.282. 62% of the NCS has a log BCF of 1.679 - 1.772 (menthone + L-menthol).
Reference
Estimated log BCF values for the known constituents of cornmint oil:
| Substance | CAS | Estimated log BCF |
| L-menthol | 2216-51-5 | 1.772 |
| Menthone | 89-80-5 | 1.679 |
| L-limonene | 5989-54-8 | 2.557 |
| alpha pinene | 7785-70-8 | 2.597 |
| betapinene | 127-91-3 | 2.412 |
| Iso-menthone | 491-07-6 | 1.679 |
| neo-menthol | 2216-52-6 | 1.772 |
| Menthyl Acetate | 16409-45-3 | 2.306 |
| Piperitone | 89-81-6 | 1.547 |
| Pulegone | 89-82-7 | 1.699 |
| Iso-Pulegol | 89-79-2 | 1.893 |
| Germacrene-D | 37839-63-7 | 4.282 |
| Neo-iso pulegol | 89-79-2 | 1.893 |
| 1,8-cineole | 470-82-6 | 1.475 |
| octan-3-ol | 589-98-0 | 1.47 |
| sabinene | 3387-41-5 | 2.761 |
| Myrcene | 123-35-3 | 2.418 |
| Neo-iso menthol | 89-78-1 | 1.772 |
| Beta-caryophyllene | 87-44-5 | 3.825 |
Description of key information
The range of log BCF values for the known constituents of cornmint oil was found to be 1.47 - 4.282 (BCF 30 - 19143).
Key value for chemical safety assessment
Additional information
The log BCF values of known cornmint oil constituents were estimated using the QSAR BCFBAF v 3.00. Log Kow estimates were calculated using the corresponding log Kow value estimated by KOWWIN (see chapter 4.7).
The range of log BCF values for the known constituents of peppermint oil was found to be 1.47 - 4.282 (BCF 30 – 19143). 62% of the NCS has a log BCF of 1.679 - 1.772 (BCF 48 – 59, menthone + L-menthol).
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