Quaternary ammonium compounds, benzyl C12-C16 (even numbered)-alkyldimethyl chlorides

Repeated dose toxicity: inhalation

Administrative data

Endpoint:

short-term repeated dose toxicity: inhalation

Data waiving:

exposure considerations

Justification for data waiving:

other:

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

appearance / physical state / colour

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From November 21, 2006 to February 19, 2007

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.6303 (Physical State)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.6302 (Color)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.6304 (Odor)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Specific details on test material used for the study:

- Purity 94.4% (LC-MS/MS)

Physical state at 20°C and 1013 hPa:

solid

Key result

Form:

solid: crystalline

Remarks:

tenacious and sticky

Colour:

white

Odour:

other: faint, marzipan-like odour

Substance type:

organic

The test substance is hygroscopic

Conclusions:

Under the study conditions, the substance was a crystalline, hygroscopic, sticky white solid with a faint marzipan-like odour at 20ºC.

Executive summary:

A study was conducted to determine the appearance, physical state and colour of the test substance according to EPA OPPTS 830.6302, .6303 and .6304, in compliance with GLP. Under the study conditions, the substance was a crystalline, hygroscopic, sticky white solid with a faint marzipan-like odour at 20ºC (Schulze, 2007).

Cross-reference 2

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From March 15, 2012 to March 19, 2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7950 (Vapor Pressure)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

effusion method: by loss of weight or by trapping vaporisate

Specific details on test material used for the study:

- Molecular formula: Cn+9 H2n+14 N Cl (n=12-16)
- Molecular weight: 352.5
- Substance type: Solid
- Physical state: White powder with lumps (determined at NOTOX)
- Analytical purity: 99.24 ± 0.676 % w/w
- Method used for analysis: LC-MS/MS and GC-MS (external standard)
- Composition of test material, percentage of components: Refer to the attached background materail for details
- Purity test date: 26 October, 2011
- Lot/batch No.: 667S0002
- Expiration date of the lot/batch: 30 April, 2012
- Stability under test conditions: Stable
- Storage condition of test material: At room temperature in the dark in desiccator
- Study specific test substance information: Freeze dried Arquad sample MCB-50 EP, stored in desiccator above P2O5 and substance was handeled in nitrogen environment in glovebox
- Other:
- Chemical name: Benzyl(C12-C16-alkyl)dimethylazanium chloride

Key result

Temp.:

20 °C

Vapour pressure:

0.002 Pa

Remarks on result:

other: The value of vapour pressure is < 0.0015 Pa

Temp.:

20 °C

Vapour pressure:

0 mm Hg

Remarks on result:

other: The value of vapour pressure is < 0.000011 mm Hg

Key result

Temp.:

25 °C

Vapour pressure:

0.006 Pa

Remarks on result:

other: The value of vapour pressure is < 0.0058 Pa

Temp.:

25 °C

Vapour pressure:

0 mm Hg

Remarks on result:

other: The value of vapour pressure is < 0.000043 mm Hg

Formulas used:

Evaporation rate: (νT) =Dm/ F x t [g/cm /h]

where:

Dm = weight loss of the test substance [g]

F = surface of the sample plate [cm2]

t = elapsed time for the weight loss [h]

Vapour pressure equation log PT=c lognT+d

where:

c = constant specific for the experimental arrangement

d = constant specific for the experimental arrangement

Vapour pressure regression curve log PT=a 1/T+b

where:

T = temperature [K]

a = slope [K]

b = intercept

Results:

The isothermal TGA effusion method was applied for the determination of the vapour pressure of the test substance is:

The vapour pressure of the test substance at 20°C (293K) and 25°C (298K) was:   20°C 25°C [Pa] [mmHg] [Pa] [mmHg] Test substance < 1.5 x10^-3 < 1.1 x10^-5 < 5.8 x10-^3 < 4.3 x10^-5

Conclusions:

Under the study conditions, the vapour pressure of test substance was found to be <1.5E-03 Pa at 20°C and <5.8E-03 Pa at 25°C (isothermal thermo gravimetric effusion method).

Executive summary:

A study was conducted to determine the vapour pressure of the test substance according to OECD Guideline 104, EU Method A.4 and EPA OPPTS 830.7950 (isothermal thermo gravimetric effusion method), in compliance with GLP. Approximately 14.5 or 15.2 mg of the test substance was applied to the surface of a roughened glass plate as a homogeneous layer. The plates were dried at 30°C under nitrogen in the thermogravimetric analyzer (TGA). The weight loss of the test substance was measured continuously as a function of time. Benzo(ghi)perylene, chrysene, hexachlorobenzene, naphthalene and water were used as reference substances for validation. The log Vt, 20 value which was obtained by extrapolation of the evaporation rate curve, fitted in the vapour pressure regression curve. Under the study conditions, the vapour pressure of test substance was found to be <1.5E-03 Pa at 20°C and <5.8E-03 Pa at 25°C (Brekelmans, 2012).

Results and discussion

Target system / organ toxicity

Critical effects observed:

not specified