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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
supporting study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction from Episuite 4.1

Data source

Reference
Title:
No information
Author:
Anonymous
Year:
2013
Bibliographic source:
Episuite data (Epiweb 4.1)

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Epiweb 4.1
Release year:
2 012
Media:
other: air-water-soil-sediment

Test material

Constituent 1
Chemical structure
Reference substance name:
2-methylresorcinol
EC Number:
210-155-8
EC Name:
2-methylresorcinol
Cas Number:
608-25-3
Molecular formula:
C7H8O2
IUPAC Name:
2-methylbenzene-1,3-diol

Results and discussion

Percent distribution in media

Air (%):
0.002
Water (%):
17
Soil (%):
82.7
Sediment (%):
0.279

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

=======================================

Chem Name : 1,3-Benzenediol, 2-methyl-

Molecular Wt: 124.14

Henry's LC : 8.68e-011 atm-m3/mole (Henrywin program)

Vapor Press : 0.000253 mm Hg (Mpbpwin program)

Liquid VP : 0.000556 mm Hg (super-cooled)

Melting Pt : 59.6 deg C (Mpbpwin program)

Log Kow : 1.58 (Kowwin program)

Soil Koc : 402 (KOCWIN MCI method)

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00151 1.28 1000

Water 17 360 1000

Soil 82.7 720 1000

Sediment 0.279 3.24e+003 0

Fugacity Reaction Advection Reaction Advection

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

Air 6.86e-014 18.9 0.349 0.629 0.0116

Water 1.37e-015 753 391 25.1 13

Soil 7.45e-015 1.83e+003 0 61.2 0

Sediment 1.06e-015 1.38 0.129 0.0459 0.00429

Persistence Time: 768 hr

Reaction Time: 883 hr

Advection Time: 5.88e+003 hr

Percent Reacted: 86.9

Percent Advected: 13.1

Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):

Air: 1.281

Water: 360

Soil: 720

Sediment: 3240

Biowin estimate: 2.963 (weeks )

Advection Times (hr):

Air: 100

Water: 1000

Sediment: 5e+004

Applicant's summary and conclusion