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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: migrated from IUCLID 5.6

Data source

Reference
Title:
No information
Author:
Anonymous
Year:
2010
Bibliographic source:
Episuite data (Epiweb 4.0)

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Epiweb 4.0
Release year:
2 008
Media:
other: air-water-soil-sediment

Test material

Constituent 1
Chemical structure
Reference substance name:
Benzoin
EC Number:
204-331-3
EC Name:
Benzoin
Cas Number:
119-53-9
Molecular formula:
C14H12O2
IUPAC Name:
2-hydroxy-1,2-diphenylethanone

Results and discussion

Any other information on results incl. tables

LevelIIIFugacity Model (Full-Output):

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

 Chem Name  : Ethanone, 2-hydroxy-1,2-diphenyl-

 Molecular Wt: 212.25

 Henry's LC : 1.24e-007 atm-m3/mole (Henrywin program)

 Vapor Press : 5.77e-007 mm Hg (Mpbpwin program)

 Liquid VP  : 3.7e-006 mm Hg (super-cooled)

 Melting Pt : 107 deg C (Mpbpwin program)

 Log Kow    : 2.13 (Kowwin program)

 Soil Koc   : 163 (KOCWIN MCI method)

 

          Mass Amount   Half-Life   Emissions

           (percent)       (hr)      (kg/hr)

  Air      0.931          22.1        1000      

  Water    22.7           360         1000      

  Soil     76.2           720         1000      

  Sediment 0.186          3.24e+003   0         

 

            Fugacity   Reaction   Advection  Reaction   Advection

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

  Air      1.45e-011   492        157        16.4       5.22     

  Water    1.11e-012   734        381        24.5       12.7     

  Soil     9.88e-012   1.24e+003  0          41.2       0        

  Sediment 9.3e-013    0.669      0.0626     0.0223     0.00209  

 

  Persistence Time: 561 hr

  Reaction Time:   684 hr

  Advection Time:  3.13e+003 hr

  Percent Reacted: 82.1

  Percent Advected: 17.9

 

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

     Air:     22.06

     Water:   360

     Soil:    720

     Sediment: 3240

       Biowin estimate: 2.912 (weeks      )

 

  Advection Times (hr):

     Air:     100

     Water:   1000

     Sediment: 5e+004

Applicant's summary and conclusion