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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
melting point/freezing point
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
other: model results
Title:
Unnamed
Year:
2018

Materials and methods

Principles of method if other than guideline:
Value estimated by US EPA model MPBPVP v1.43.
GLP compliance:
no
Type of method:
other: MPBPVP (v1.43) EPISUITE v4.1

Test material

Constituent 1
Chemical structure
Reference substance name:
2-ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-phosphatetradecanoate 4-oxide
EC Number:
280-479-2
EC Name:
2-ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-phosphatetradecanoate 4-oxide
Cas Number:
83547-95-9
Molecular formula:
C30H57O7PS3
IUPAC Name:
2-ethylhexyl 2-{[bis({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)phosphoryl]sulfanyl}acetate

Results and discussion

Melting / freezing point
Melting / freezing pt.:
90.27 °C
Atm. press.:
1 atm
Remarks on result:
other: Weighted value calculated by US EPA MPBPVP v1.43 model
Remarks:
Atm. press. not specified. It is assumed to be 1 Atm.

Applicant's summary and conclusion

Conclusions:
The US EPA MPBPVP V1.43 model estimates the melting point of TGEPO (CAS No. 83547-95-9) to be 90.27 deg C (weighted value).