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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
water solubility
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Internationally accepted method, EPI-Suite EPA (USA)

Data source

Reference
Reference Type:
other: estimated by calculation
Title:
Unnamed
Year:
2013

Materials and methods

Principles of method if other than guideline:
EPI-Suite WSKOW v1.42
GLP compliance:
no
Type of method:
other: estimated by calculation

Test material

Constituent 1
Chemical structure
Reference substance name:
Erythromycin thiocyanate
EC Number:
231-723-1
EC Name:
Erythromycin thiocyanate
Cas Number:
7704-67-8
Molecular formula:
C37H67NO13.CHNS
IUPAC Name:
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione; sulfanylformonitrile

Results and discussion

Water solubility
Water solubility:
0.828 mg/L
Temp.:
25 °C
Remarks on result:
other: (Estimated from Log Kow = 2.37, WSKOW v1.42)

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
Water solubility EPISUITE = 0.8284 mg/L at 25 ºC (WSKOW v1.42, estimated from Log Kow = 2.37)
Executive summary:

Water solubility EPISUITE = 0.8284 mg/L at 25 ºC (WSKOW v1.42, estimated from Log Kow = 2.37)