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Bioaccumulation: aquatic / sediment

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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:
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

===========================================================

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)

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:
read-across source
Key result
Type:
BCF
Value:
360.5 L/kg
Basis:
whole body w.w.
Details on kinetic parameters:
No kinetic parameter

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)

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.

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.