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EC number: 939-009-8 | CAS number: -
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Justification for type of information:
- D-Limonene is one of the main constituents of multiconstituent substance REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. Therefore, data on d-limonene can be used for extrapolation to REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. See read-across justification document in section 13.
- Reason / purpose for cross-reference:
- read-across source
- Lipid content:
- ca. 5 %
- Remarks on result:
- other: Lower trophic is for fish with about 5% lipid content
- Key result
- Type:
- BCF
- Value:
- 864.8 L/kg
- Basis:
- whole body w.w.
- Details on kinetic parameters:
- Bio Half-Life Normalized to 10 g fish at 15 deg C : 3.531 days
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculations
- Conclusions:
- The calculated BCF is 864.8 L/kg wet/wet.
- Executive summary:
The bioconcentration factor was estimated by calculation with BCFBAF tool v3.01, part of EPIWIN software v4.1.
The calculated BCF is 864.8 L/kg wet/wet.
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Justification for type of information:
- D-Limonene is one of the main constituents of multiconstituent substance REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. Therefore, data on d-limonene can be used for extrapolation to REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. See read-across justification document in section 13.
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Type:
- BCF
- Value:
- 360.5 L/kg
- Basis:
- whole body w.w.
- Details on kinetic parameters:
- No kinetic parameter
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculations
- Conclusions:
- The calculated BCF is 360.5 L/kg wet/wet.
- Executive summary:
The bioconcentration factor was estimated by calculation with BCFWIN tool, part of EPIWIN software.
The calculated BCF is 360.5 L/kg wet/wet.
Referenceopen allclose all
===========================================================
Whole Body Primary Biotransformation Rate Estimate for Fish:
===========================================================
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 2 | Methyl [-CH3] | 0.2451 | 0.4902
Frag | 3 | -CH2- [cyclic] | 0.0963 | 0.2888
Frag | 1 | -CH - [cyclic] | 0.0126 | 0.0126
Frag | 3 | -C=CH [alkenyl hydrogen] | 0.0988 | 0.2965
Frag | 3 | -C=CH [alkenyl hydrogen] | 0.0000 | 0.0000
L Kow| * | Log Kow = 4.38 (user-entered ) | 0.3073 | 1.3462
MolWt| * | Molecular Weight Parameter | | -0.3494
Const| * | Equation Constant | | -1.5371
============+============================================+=========+=========
RESULT | LOG Bio Half-Life (days) | | 0.5478
RESULT | Bio Half-Life (days) | | 3.531
NOTE | Bio Half-Life Normalized to 10 g fish at 15 deg C |
============+============================================+=========+=========
Biotransformation Rate Constant:
kM (Rate Constant): 0.1964 /day (10 gram fish)
kM (Rate Constant): 0.1104 /day (100 gram fish)
kM (Rate Constant): 0.06209 /day (1 kg fish)
kM (Rate Constant): 0.03491 /day (10 kg fish)
Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):
Estimated Log BCF (upper trophic) = 2.963 (BCF = 917.8 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 2.969 (BAF = 931.1 L/kg wet-wt)
Estimated Log BCF (mid trophic) = 2.953 (BCF = 896.6 L/kg wet-wt)
Estimated Log BAF (mid trophic) = 2.976 (BAF = 945.2 L/kg wet-wt)
Estimated Log BCF (lower trophic) = 2.937 (BCF = 864.8 L/kg wet-wt)
Estimated Log BAF (lower trophic) = 2.988 (BAF = 973.7 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 3.374 (BCF = 2367 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 3.982 (BAF = 9604 L/kg wet-wt)
Results from EPIWIN
=============================
BCF (Bioconcentration Factor):
=============================
Log Kow (experimental): 4.38
Log Kow used by BCF estimates: 4.38 (user entered)
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
No Applicable Correction Factors
Estimated Log BCF = 2.557 (BCF = 360.5 L/kg wet-wt)
Description of key information
Bioaccumulation of substance reaction mass of beta-phellandrene and d-limonene and l-limonene was based on data obtained with d-limonene, one of its main constituents.
The bioconcentration factor (BCF) of
d-limonene was estimated by two QSAR models:
- BCFBAF v3.01 module of EPI Suite (v4.1) - Regression-based estimate
- BCF-BAF v3.01 module of EPI Suite (v4.1) (including biotransformation)
- Arnot-Gobas lower trophic level
The prediction including biotransformation rate estimates is the most appropriate for monoterpene substances, such as d-limonene.
The estimated fish BCF of d-limonene
is 690.1 L/kg (geometric mean of results of the two QSAR models): it is
the most conservative value obtained with both models according to ECHA
guidance (chapter R.7.c, 2017) recommendation on evaluation of non
testing data.
For further information on read-across justification, see section 13 "justification of read-across".
Key value for chemical safety assessment
- BCF (aquatic species):
- 917.8 L/kg ww
Additional information
The estimated fish BCF of d-limonene is defined as the most conservative value otained with both models according to ECHA guidance (chapter R.7.c, 2017) recommendation on evaluation of non testing data.
This conservative value is considered as the endpoint defining the substance potential for bioaccumulation and can be used as input parameter for environmental risk assessment.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
