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EC number: 239-937-7 | CAS number: 15834-04-5
Endpoint summary
Administrative data
Description of key information
Additional information
The following table illustrates the read across approach taken within the PE ester group of the polyol esters category. In order to get a good overview, the environmental fate parameters of the relevant substances used as part of a read across approach for the PE esters of the category have been listed in the table below. The complete data matrix of all polyol esters for environmental fate is however detailed within the category justification attached in IUCLID section 13 of this dossier.
Environmental fate parameters of the PE ester group:
ID No. |
CAS |
Photo-transformation in air [DT50, 24 h day] |
Hydrolysis [DT50, pH 7] |
Biodegradation: screening tests |
BCF/BAF [L/kg] |
Adsorption [log Koc] |
30 |
15834-04-5 |
(Q)SAR: 19.55 h |
Data waiving |
RA: CAS 68424-31-7 RA: CAS 68441-94-1 RA: CAS 71010-76-9 RA: CAS 68604-44-4 RA: CAS 19321-40-5 |
(Q)SAR: 6.32/6.32 (Arnot-Gobas) |
(Q)SAR: 6.25 (MCI) |
31 |
85116-93-4 |
(Q)SAR: 4.113 - 11.686 h |
Data waiving |
RA: CAS 19321-40-5 RA: CAS 25151-96-6 |
(Q)SAR: 0.89 - 24.7/0.89-24.7 (Arnot-Gobas) |
(Q)SAR: 3.25 - 19.81 (MCI) |
32 |
85711-45-1 |
(Q)SAR: 0.34 - 11.69 h |
(Q)SAR: >1 yr |
Experimental result: readily biodegradable |
(Q)SAR: 0.89 - 24.7/0.89-24.7 (Arnot-Gobas) |
(Q)SAR: 3.25 - 19.81 (MCI) |
33 |
25151-96-6 |
(Q)SAR: 1.5 - 2.39 h |
(Q)SAR: >1 yr |
Experimental result: readily biodegradable |
(Q)SAR: 0.89 / 0.89 (Arnot-Gobas) |
(Q)SAR: 7.38 - 13.59 (MCI) |
34 |
67762-53-2 |
(Q)SAR: 9.1 - 19.55 h |
(Q)SAR: >1 yr |
RA: CAS 71010-76-9 RA: CAS 68604-44-4 RA: CAS 19321-40-5 |
(Q)SAR: 0.89 - 6.32/0.89 - 6.32 (Arnot-Gobas) |
(Q)SAR: 6.25 - 10.42 (MCI) |
35 |
(Formerly 68441-94-1) |
(Q)SAR: 12.42 - 19.55 h |
Data waiving |
Experimental result: Readily biodegradable RA: CAS 68604-44-4 RA: CAS 19321-40-5 RA: CAS 68424-31-7 |
(Q)SAR: 0.89 - 6.32/0.89 - 6.32 (Arnot-Gobas) |
(Q)SAR: 6.25 - 8.34 (MCI) |
36 |
(Formerly 68424-30-6) |
(Q)SAR: 9.10 - 19.55 h |
Data waiving |
Experimental result: Readily biodegradable |
(Q)SAR: 0.89 - 6.32/0.89 - 6.32 (Arnot-Gobas) |
(Q)SAR: 6.25 - 10.42 (MCI) |
37 |
146289-36-3 |
- |
- |
- |
- |
- |
38 |
68424-31-7 |
(Q)SAR: 8.03 - 12.42 h |
Data waiving |
Experimental result: Readily biodegradable |
(Q)SAR: 0.89 - 6.32/0.89 - 6.32 (Arnot-Gobas) |
Q)SAR: 6.25 - 11.47 (MCI) |
39 |
68424-31-7 |
(Q)SAR: 8.03 - 12.42 h |
Data waiving |
Experimental result: Readily biodegradable |
(Q)SAR: 0.89 - 6.32/0.89 - 6.32 (Arnot-Gobas) |
Q)SAR: 6.25 - 11.47 (MCI) |
40 |
68424-31-7 |
(Q)SAR: 8.03 - 12.42 h |
Data waiving |
Experimental result: Readily biodegradable |
(Q)SAR: 0.89 - 0.90/0.89 - 0.90 (Arnot-Gobas) |
Q)SAR: 7.62 - 9.95 (MCI) |
41 |
71010-76-9 |
(Q)SAR: 8.03 - 19.6 h |
(Q)SAR: >1 yr |
Experimental result: readily biodegradable |
(Q)SAR: 0.89 - 6.32/0.89 - 6.32 (Arnot-Gobas) |
Experimental result: 4.3 -7 (HPLC method) |
42 |
68441-68-9 |
(Q)SAR: 8.03 - 10.51 h |
(Q)SAR: >1 yr |
RA: CAS 71010-76-9 RA: CAS 68604-44-4 RA: CAS 19321-40-5 |
(Q)SAR: 0.89 / 0.89 (Arnot-Gobas) |
(Q)SAR: 9.38 - 11.47 (MCI) |
43 |
85586-24-9 |
(Q)SAR: 8.03 - 10.51 h |
(Q)SAR: >1 yr |
RA: CAS 71010-76-9 RA: CAS 68604-44-4 RA: CAS 19321-40-5 |
(Q)SAR: 0.89 / 0.89 (Arnot-Gobas) |
(Q)SAR: 9.38 - 11.47 (MCI) |
44 |
85049-33-8 |
(Q)SAR: 4.70 - 10.51 h |
Data waiving |
RA: CAS 71010-76-9 RA: CAS 68604-44-4 RA: CAS 19321-40-5 |
(Q)SAR: 0.89 - 6.32/0.89 - 6.32 (Arnot-Gobas) |
(Q)SAR: 93.8 - 20.49 (MCI) |
45 |
91050-82-7 |
(Q)SAR: 4.13 - 4.7 h |
(Q)SAR: >1 yr |
RA: CAS 68604-44-4 RA: CAS 19321-40-5 |
(Q)SAR: 0.89/0.89 (Arnot-Gobas) |
(Q)SAR: 17.72 - 19.81 (MCI) |
46 |
19321-40-5 |
(Q)SAR: 39.9 min - 1.31 h |
(Q)SAR: >1 yr |
Experimental result: readily biodegradable |
(Q)SAR: 0.89/0.89 (Arnot Gobas) |
(Q)SAR: 17.72 - 19.81 (MCI) |
47 |
68604-44-4 |
(Q)SAR: 1.15 - 4.7 h |
(Q)SAR: >1 yr |
Experimental result: readily biodegradable |
(Q)SAR: 0.89/0.89 (Arnot Gobas) |
(Q)SAR: 17.72 - 19.81 (MCI) |
48 |
62125-22-8 |
(Q)SAR: 3.33 - 5.46 h |
(Q)SAR: >1 yr |
Experimental result: readily biodegradable |
(Q)SAR: 0.89/0.89 (Arnot Gobas) |
(Q)SAR: 15.33 - 23.68 (MCI) |
49 |
68440-09-5 |
(Q)SAR: 2.72 - 8.03 h |
(Q)SAR: >1 yr |
Experimental result: readily biodegradable |
(Q)SAR: 0.89/0.89 (Arnot-Gobas) |
(Q)SAR: 11.46 - 30.23 (MCI) |
50 |
85536-35-2 |
-- |
-- |
-- |
-- |
-- |
51 |
189200-42-8 |
-- |
-- |
-- |
-- |
-- |
18 |
11138-60-6 (c) |
(Q)SAR: 10.32 -13.77 h |
(Q)SAR: > 1 yr |
readily biodegradable |
(Q)SAR: 0.89 / 0.89 (Arnot-Gobas) |
(Q)SAR: 7.10 - 8.65 (MCI) |
a) Category members subject to the REACh Phase-in registration deadline of 31 May 2013 are indicated in bold font
b) Substances that are either already registered under REACh or not subject to the REACh Phase-in registration deadline of 31 May 2013, are indicated in normal font
(c) Substance of the TMP group used as read across substance for the PE esters group.
For all category members registered under REACh a full data set for each endpoint is provided. For substances not subject to the current REACh Phase-in registration, lack of data for a given endpoint is indicated by "--".
Several experimental studies confirmed that the members of the PE ester category are readily biodegradable according to the OECD criteria (> 60% biodegradation after 28 d). Therefore, the overall experimental evidence and use of read across confirms that all category members will not be persistent in the environment. The degradation via abiotic hydrolysis is not considered to be a relevant degradation pathway in the environment since QSAR results using HYDROWIN v2.00 resulted in DT50 > 1 yr at pH 7.
Considering the low water solubility of the members of the PE ester category (< 1 mg/L) and the potential for adsorption to organic soil and sediment particles (log Koc: 3.25 – 30.23, MCI method, KOCWIN v2.00), the main compartment for environmental distribution is expected to be soil and sediment. Nevertheless, persistency in these compartments is not expected since the members of the PE esters group are readily biodegradable. Evaporation into air and the transport through the atmospheric compartment is not expected since the category members are not volatile based on the low vapour pressure (VP: < 0.001 Pa, SPARC v4.5). Accumulation in air and the subsequent transport to other environmental compartments is not anticipated. Theoretically, if released into air, all category members are susceptible to indirect photodegradation by OH-radicals with a DT50: < 24 h (AOPWIN v1.92).
Due to the low water solubility, rapid environmental biodegradation and metabolisation via enzymatic hydrolysis of the PE ester category members, a relevant uptake and bioaccumulation in aquatic organisms is not expected. Enzymatic breakdown will initially lead to the free fatty acid and the free alcohol (e. g. pentaerythritol). From literature it is well known, that these hydrolysis products will be metabolised and excreted in fish effectively (Heymann, 1980; Lech & Bend, 1980; Lech & Melancon, 1980; Murphy & Lutenske, 1990). This is supported by low calculated BCF values of 0.89 – 39.11 L/kg ww of all category members (BCFBAF v3.01, Arnot-Gobas, including biotransformation, upper trophic). Please refer to IUCLID Section 5.3 for a detailed overview on bioaccumulation of the members of the PE esters group.
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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