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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
other information
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:
Documentation about the justification is provided in attachment (See Supporting information). The reliability assessment of the prediction is presented in the attached document as well (QPRF)

Data source

Reference
Reference Type:
other: QSAR model
Title:
TEST
Year:
2022
Bibliographic source:
Vapor pressure at 25°C - US EPA. EPI Suite, Version 4.0. http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (accessed 5/21/09)

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.

Test material

Constituent 1
Chemical structure
Reference substance name:
Ethyl mercaptoacetate
EC Number:
210-800-3
EC Name:
Ethyl mercaptoacetate
Cas Number:
623-51-8
Molecular formula:
C4H8O2S
IUPAC Name:
ethyl 2-sulfanylacetate
Specific details on test material used for the study:
O=C(OCC)CS

Results and discussion

Vapour pressure
Key result
Temp.:
25 °C
Vapour pressure:
1.44 mm Hg

Any other information on results incl. tables

The prediction was deemed to be reliable on the basis of the parameters listed above. The molecule falls into the applicability domain of the model.

Applicant's summary and conclusion

Conclusions:
The vapor pressure of the substance was predicted to be 1.44 mmHg at 25°C.