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EC number: 941-360-7 | CAS number: -
Endpoint summary
Administrative data
Description of key information
No tests are available for the substance under registration Reaction mass of acetophenone and hydratropaldehyde and (E)-1,4-diphenyl-2-butene-1,4-dione. However, the main constituent Acetophenone is regarded as most relevant for the evaluation of the multi consituent substance. Therefore, the results of the test with Acetophenone were presented. The procedure laid down in the CLP regulation (1272/2008/EG) to base the classification and labelling on the available data and classification of the known main and relevant constituents was used. Based on this evaluation no further testing is indicated to be neccessary.
Key value for chemical safety assessment
Additional information
Reaction mass of acetophenone and hydratropaldehyde and (E)-1,4-diphenyl-2-butene-1,4-dione:
Acute Toxicity By oral route
No tests are available with the registered substance. The procedure laid down in the CLP regulation (1272/2008/EG) to base the classification and labelling on the available data and classification of the known main and relevant constituents was used.
Table2Main constituents of the registered substance and other relevant substances that were analytically determined and respective data on oral acute toxicity and classification with regard to acute oral toxicity according to CLP regulation (1272/2008/EG)
Substance (other names), main constituents marked in bold letters |
CAS |
LL (%) |
UL (%) |
typical concentration (%) |
Acute oral toxicity data |
Classification with regard to acute oral toxicity |
(E)-1,4-diphenyl-2-butene-1,4-dione (trans-1,2-Dibenzoylethylene) |
959-28-4 |
3 |
10 |
5.5 |
no data |
not classified |
1,1'-(1,1-dimethyl-3-methylene-1,3-propanediyl)bisbenzene (dim. A-MS) |
6362-80-7 |
1 |
2.2 |
1.9 |
oral LD50 (Rat, OECD 423)=300- 2000 mg/kg b.w.) acc. to SDS (Sigma) and ECHA-Information on registered substance |
acute oral toxicity cat. 4 |
2-phenylpropan-2-ol (DMPC) |
617-94-7 |
0.5 |
5 |
1.6 |
LD50 oral (Rat) =1300mg/kg b.w., LD50 dermal (Rabbit) = 4300 mg/kg b.w. (SDS-Sigma-Aldrich) |
acute oral toxicity cat. 4 |
acetophenone (Acvph) |
98-86-2 |
40 |
80 |
69 |
LD50 Rat, oral:2081mg/kg (OECD 401) |
not classified(Legal classification, and self classification of registrants) |
cresol |
1319 -77-3 |
0.2 |
4 |
0.71 |
p-cresol LD50: 207 mg/kg bw., rat, (IBT-Lab, 1969); o-cresol LD50:121mg/kg bw., rat (Harke HP, 1983); m-cresol LD50: 242 mg/kg bw., rat (Koch et al., 1984) (based onECHA-Information on registered substance) |
acute oral toxicity cat. 3 |
hydratropaldehyde (Phenylpropionaldehyd-2) |
93-53-8 |
5 |
20 |
8.5 |
LD50 Rat, oral: 2800mg/kg b.w., LD 50 Rabbit, dermal > 5000 mg/kg b.w. (SDB, Sigma-Aldrich) |
not classified |
phenol |
108-95-2 |
0.1 |
0.5 |
0.11 |
LDLo (Human) =140mg/kg b.w.; LD50, Rat, oral = 340 mg/kg b.w.; (SDS, Domo) |
acute tox (oral and dermal) cat 3 |
β,β-dimethylstyrene |
768 -49-0 |
0.2 |
5 |
1.2 |
no data |
not classified |
unknown constituents |
|
1 |
15 |
11.5 |
no data |
not classified |
Underlined LD50, LDLo values were used to calculate the ATEmix (see details below) in a conservative approach.
Data on acute oral toxicity data is available for the main constituent Acetophenon (with up to 80% concentration) and hydratropaldehyde and the impurities 1,1'-(1,1-dimethyl-3-methylene-1,3-propanediyl)bisbenzene, 2-phenylpropan-2-ol, cresol and Phenol. For the impurity isomeric mixture cresol (CAS 1319-77-3) data is available for the isomers o-, m-, p-cresol which are considered suitable to assess the isomeric mixture cresol (based on available disseminated information by ECHA). No data on acute oral toxicity is available for (E)-1,4-diphenyl-2-butene-1,4-dione and the impurity β,β-dimethylstyrene β,β-dimethylstyrene.
The acute oral toxicity is evaluated based on the procedure laid out in section 3.1.3.6.2. (Classification of mixtures when data are not available for all components) of the CLP-Regulation (1272/2008 (EC)).
The total concentration of the constituents and impurities with unknown toxicity is > 10 %, therefore, the formula presented in section 3.1.3.6.1 of annex 1 of the CLP-Regulation (1272/2008 (EC)) shall be corrected to adjust for the total percentage of the unknown containing substances as follows:
(100 − (ΣC unknown if > 10 %)/ATEmix = Σn Ci/ATEi
ATEmix was calculated to be ca. 1600 mg/kg b.w. based on the oral acute toxicity data for the constituents and impurities taking into account the unknown toxicity of some containing (unknown) substances according to the formula above. Taking into account some uncertainty the ATEmix is set to > 300 - 1600 mg/kg bw. This ATEmix leads to a classification into oral acute toxicity Category 4 according to the criteria of the CLP regulation.
Based on this conservative approach a classification of the (multi constituent) substance was concluded. Thus, no further testing regarding the acute oral toxicity (8.5.1. Annex VII, REACH) is considered appropriate. By using this above procedure this adaption to the in vivo acute oral toxicity test is in compliance with the general rules contained in Annex XI, REACH.
References:
IBT-Lab,1969: Industrial Bio-Test Laboratory Inc,,/, data sheet no. 5-5/69, 1969
Harke HP, Hygiene + Medizin 8, 420-423, 1983;
Koch R et al., Z. Ges. Hyg. 30, 199-203 (review), 1984
Justification for classification or non-classification
Acute toxicity via oral route:
The substance Reaction mass of acetophenone and hydratropaldehyde and (E)-1,4-diphenyl-2-butene-1,4-dione was evaluated for the endpoint acute oral toxicity and possible classification based on the method described in section 3.1.3.6.3 in annex I of the CLP-regulation ((EC)1272/2008).
ATEmix was calculated to be ca. 1600 mg/kg b.w. based on the oral acute toxicity data for the constituents and impurities taking into account the unknown toxicity of some containing (unknown) substances according to the formula presented in section 3.1.3.6.1 of annex I of the CLP-Regulation ((100 − (ΣC unknown if > 10 %)/ATEmix = Σn Ci/ATEi). Taking into account some uncertainty the ATEmix is set to > 300 - 1600 mg/kg bw. This ATEmix leads to a classification into oral acute toxicity Category 4 according to the criteria of the CLP regulation.
Acute toxicity via dermal route:
Based on the method described in section 3.1.3.6.3 in annex I of the CLP-regulation ((EC)1272/2008) the substance Reaction mass of acetophenone and hydratropaldehyde and (E)-1,4-diphenyl-2-butene-1,4-dione does not need to be classified as acute toxic via oral route (ATEmix = 3125 mg/kg bw. based on typical concentrations/ 2550 mg/kg bw. based on highest concentration of constituents/impurities with unknown toxicity). The calculated ATEmix lays above the limit for classification.
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