Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
QSAR using an accepted calculation method. The assessed substance is within the domain of the QSAR.

Data source

Reference
Reference Type:
other: QSAR
Title:
Mpbpwin v1.43
Author:
EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation.
Year:
2010
Bibliographic source:
http://www.epa.gov/opptintr/exposure/pubs/episuite.htm

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR calculation
GLP compliance:
no
Type of method:
other: QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
3-hydroxy-4'-methoxy-2-naphthanilide
EC Number:
202-190-2
EC Name:
3-hydroxy-4'-methoxy-2-naphthanilide
Cas Number:
92-79-5
Molecular formula:
C18H15NO3
IUPAC Name:
3-hydroxy-4'-methoxy-2-naphthanilide

Results and discussion

Boiling point
Key result
Boiling pt.:
507.88 °C
Remarks on result:
other: Adapted Stein and Brown Method

Applicant's summary and conclusion

Conclusions:
BP: 507.88 °C.
The boiling point was calculated by EpiSuite's MPBPVP model.
Executive summary:

The boiling point was calculated by EpiSuite's MPBPVP model and found to be 507.88 °C.

Naphtol AS-RL is considered to be inside the applicability domain of the EpiSuite MPBPVP model since the following criteria are fulfilled:

- the molecular weight of Naphtol AS-RL is within the molecular weight range of the training set

- Naphtol AS-RL has a limited number of functional groups

- all functional groups present in Naphtol AS-RL are represented in the training set and have a fragment coëfficiënt available.