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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The applicability domain is not defined, the substance is considered readily biodegradable
Justification for type of information:
QSAR prediction

Data source

Reference
Reference Type:
other: QSAR
Title:
EPIWINv 4.10 Fugacity model
Year:
2013
Report date:
2013

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Epiwin fugacity model v 4.10

Test material

Constituent 1
Reference substance name:
p-menthane
IUPAC Name:
p-menthane
Constituent 2
Chemical structure
Reference substance name:
1-isopropyl-4-methylcyclohexane
EC Number:
202-790-4
EC Name:
1-isopropyl-4-methylcyclohexane
Cas Number:
99-82-1
Molecular formula:
C10H20
IUPAC Name:
1-methyl-4-(propan-2-yl)cyclohexane

Results and discussion

Percent distribution in media

Air (%):
4.44
Water (%):
92
Soil (%):
0
Sediment (%):
3.52

Any other information on results incl. tables

Mass Amount    Half-Life    Emissions

(percent)        (hr)       (kg/hr)

Air       4.44            17           0

Water     92              360          1000

Soil      0.000459        720          0

Sediment  3.52            3.24e+003    0

 

Fugacity    Reaction   Advection  Reaction   Advection

(atm)       (kg/hr)     (kg/hr)    (percent)  (percent)

Air       1.56e-011    365         89.6        36.5        8.96

Water     1.14e-005    358         186         35.8        18.6

Soil      1.55e-011    0.000892   0           8.92e-005   0

Sediment  8e-006       1.52        0.142       0.152       0.0142

Applicant's summary and conclusion

Conclusions:
The test substance will be distributed mainly to the water phase.
Executive summary:

Level III McKay modelling indicates that the test substance will be distributed mainly to the water phase.