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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable method

Data source

Reference
Reference Type:
other: Mackay calculation
Title:
Unnamed
Year:
2008
Report date:
2008

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
v3.00
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Cyanoacetic acid
EC Number:
206-743-9
EC Name:
Cyanoacetic acid
Cas Number:
372-09-8
Molecular formula:
C3H3NO2
IUPAC Name:
cyanoacetic acid
Details on test material:
- Name of test material (as cited in study report): Cyanoacetic acid

Study design

Test substance input data:
- Molar mass: 85.06 g/mol [1]
- Data temperature: 25 °C
- Water solubility: 10000 g/m³ [2]
- Vapour pressure: 4.66 Pa [3]
- log Pow: -0.76 [4]
- Melting point: 66 °C [5]


Sources:
[1]: BASF SE (2008). Department of Product Safety, data assessment, unpublished calculation, SRC EPIWIN v3.20, 26 Feb 2008.
[2]: OECD (2006); SIDS Initial Assessment Report for SIAM 23, 17–20 Oct 2006, Jeju (Korea)
[3]: US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available at http://www.epa.gov/oppt/exposure/docs/episuitedl.htm as of Apr 10, 2006. cited in HSDB 16 Sep 2008
[4]: OECD (2006); SIDS Initial Assessment Report for SIAM 23, 17–20 Oct 2006, Jeju (Korea)
[5]: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 468. cited in HSDB 19 Sep 2008

Results and discussion

Percent distribution in media

Air (%):
1.35
Water (%):
98.65
Soil (%):
0
Sediment (%):
0
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Phase properties and composition

Volume

Density

org. C

fish lipid

(m³)

[kg/m³]

[g/g]

[g/g]

Air

6.0E+09

1.185

-

-

Water

7.0E+06

1000

-

-

Soil

45000

1500

0.02

-

Sediment

21000

1300

0.05

-

susp. Sed.

35

1500

0.167

-

Fish

7

1000

-

0.05

Aerosol

0.12

1500

-

-

Applicant's summary and conclusion