Registration Dossier
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EC number: 472-110-0 | CAS number: 71868-15-0
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2019-01-15
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPIWIN v4.1
2. MODEL (incl. version number)
MPBPWIN v1.43
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CC(C)(O)C(=O)c1ccc(Oc2ccc(cc2)C(=O)C(C)(C)O)cc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to 'Attached justification'
5. APPLICABILITY DOMAIN
Please refer to 'Attached justification'
- Guideline:
- other: REACH Guidance on QSARs R.6
- GLP compliance:
- no
- Remarks:
- Not applicable (QSAR calculation)
- Specific details on test material used for the study:
- CC(C)(O)C(=O)c1ccc(Oc2ccc(cc2)C(=O)C(C)(C)O)cc1
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 mm Hg
- Conclusions:
- vapour pressure: 1.08E-11 mm Hg (= 1.44E-9 Pa)
- Executive summary:
The vapour pressure of the test substance, 2-Hydroxy-1-[4-(4-(2-hydroxy-2-methylpropionyl)phenoxy)phenyl]-2-methylpropan-1-one was predicted with MPBPWIN v1.43 implemented in EPIWIN v4.1. The predicted vapour pressure was 1.08E-11 mm Hg (=1.44E-9 Pa).
Reference
Description of key information
The vapour pressure of the test substance was estimated using the MPBPWIN v1.43 model of EPISUITE v4.1 (US EPA, 2019).
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
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