7-[2-(2-hydroxymethylethoxy)methylethoxy]tetramethyl-3,6,8,11-tetraoxa-7-phosphatridecane-1,13-diol

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation: aquatic / sediment

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Study period:

2013

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Qualifier:

no guideline followed

Principles of method if other than guideline:

Modelled results using BCFBAF Program (v3.00).

GLP compliance:

no

Radiolabelling:

no

Type:

BCF

Value:

2.876 L/kg

Basis:

other: modelled results

Calculation basis:

steady state

Remarks on result:

other: Log BCF (regression model) =0.459 (BCF = 2.876 L/kg wet-wt)

Remarks:

Conc.in environment / dose:not applicable

BCFBAF Program (v3.00) Results:

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

SMILES : OC(COCC(OP(OC(COCC(O)C)C)OCC(OC(CO)C)C)C)C

CHEM : Tris Dipropylene Glycol Phosphite

MOL FOR: C18 H39 O9 P1

MOL WT : 430.48

--------------------------------- BCFBAF v3.00 --------------------------------

Summary Results: Log BCF (regression-based estimate): 0.46 (BCF = 2.88 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.00923 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 0.11 (BAF = 1.3 L/kg wet-wt)

Log Kow (experimental): not available from database Log Kow used by BCF estimates: 1.20 (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 = 0.459 (BCF = 2.876 L/kg wet-wt)

======== Whole Body Primary Biotransformation Rate Estimate for Fish: =========================================================== ------+-----+--------------------------------------------+---------+--------- TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE ------+-----+--------------------------------------------+---------+--------- Frag | 3 | Aliphatic alcohol [-OH] | -0.0616 | -0.1847 Frag | 2 | Aliphatic ether [C-O-C] | -0.0232 | -0.0465 Frag | 6 | Methyl [-CH3] | 0.2451 | 1.4706 Frag | 6 | -CH2- [linear] | 0.0242 | 0.1451 Frag | 6 | -CH- [linear] | -0.1912 | -1.1474 L Kow| * | Log Kow = 1.20 (user-entered ) | 0.3073 | 0.3688 MolWt| * | Molecular Weight Parameter | | -1.1039 Const| * | Equation Constant | | -1.5058 ============+============================================+=========+========= RESULT | LOG Bio Half-Life (days) | | -2.0349 RESULT | Bio Half-Life (days) | |0.009227 NOTE | Bio Half-Life Normalized to 10 g fish at 15 deg C |

============+============================================+=========+========= Biotransformation Rate Constant: kM (Rate Constant): 75.12 /day (10 gram fish) kM (Rate Constant): 42.24 /day (100 gram fish) kM (Rate Constant): 23.76 /day (1 kg fish) kM (Rate Constant): 13.36 /day (10 kg fish) Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates): Estimated Log BCF (upper trophic) = 0.115 (BCF = 1.303 L/kg wet-wt) Estimated Log BAF (upper trophic) = 0.115 (BAF = 1.303 L/kg wet-wt) Estimated Log BCF (mid trophic) = 0.137 (BCF = 1.372 L/kg wet-wt) Estimated Log BAF (mid trophic) = 0.137 (BAF = 1.372 L/kg wet-wt) Estimated Log BCF (lower trophic) = 0.140 (BCF = 1.379 L/kg wet-wt) Estimated Log BAF (lower trophic) = 0.140 (BAF = 1.379 L/kg wet-wt) Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero): Estimated Log BCF (upper trophic) = 0.413 (BCF = 2.588 L/kg wet-wt) Estimated Log BAF (upper trophic) = 0.417 (BAF = 2.613 L/kg wet-wt)

Conclusions:

Using the BCFBAF Program (v3.00) model, a predicted BCF value of 2.876 L/kg wet-wt was obtained using the regression-base model. Similar results were obtained using the Arnot-Gobas methods.

Executive summary:

All of the modelled results using the BCFBAF 3.0 model showed consistently low estimates for bioaccumulation potential. Additionally, dipropylene glycol, the primary hydrolysis product, has a low potential to bioaccumulation. Based on these results, tris dipropylene glycol is not anticipated to bioaccumulated to any extent and does not meet the criteria in Annex XIII of REACH for bioaccumulation.

Key value for chemical safety assessment

BCF (aquatic species):

2.88 L/kg ww