Benzyldimethyl(octadecyl)ammonium chloride

Acute Toxicity: inhalation

Administrative data

Endpoint:

acute toxicity: inhalation

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

other:

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

The vapour pressure of the test substance was determined using the static method, according to EU Method A.4, (Chilworth, 2017) as well using three QSAR i.e., EPI Suite v.4.11, US EPA T.E.S.T (US EPA, 2018) and ChemProp (UFZ, 2018).

Vapour pressure:

0 Pa

at the temperature of:

25 °C

In absence of a reliable experimental study with the test substance, the vapour pressure (VP) endpoint has been assessed based on the below weight of evidence:

- Experimental VP = 6.6 Pa at 20 °C; the measured VP value is considered to be reliable with restrictions, as it can be suspected to be influenced by trapped gas/solvent/impurities.

- Estimated VP = 1.59E-11 Pa at 25°C (using modified grain method of EPI Suite v.4.11 program); 7.38E-7 at 25°C (using consensus method of T.E.S.T. v.4.2.1); the estimates are considered to be reliable with restrictions, as they do not completely fall within of the applicability domain. Also, the two QSAR models are not powered enough to predict ionic substances. Therefore the VP was estimated using a third QSAR model, ChemProp v.6.0, which resulted in VP values 5.75E-5 Pa and 1.12E-7 Pa at 25°C using modified Grain Antoine and modified Grain Watson methods respectively.

- Experimental VP of structurally similar substance, C12-16 ADBAC: 1.5E-03 Pa at 20°C and 1.58E-3 Pa at 25°C (ECHA REACH dossier; EC: 939-253-5).

Overall, based on the available weight of evidence, the test substance can be considered to have low volatility. However, in absence of a reliable experimental value, the higher QSAR based VP value (i.e., 5.75E-5 Pa) at25°C has been considered further for hazard/risk assessment.

Cross-reference 2

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 December 06, 2017 to December 06, 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.6302 (Color)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.6303 (Physical State)

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:

Identity: Benzyldimethyl(octadecyl)ammonium chloride
Batch no: 14217
Content: Cationic activity 97.6%
Expiry date: 06/2019
Storage conditions: Room temperature, protect from humidity and water

Physical state at 20°C and 1013 hPa:

solid

Key result

Form:

solid

Colour:

White

Odour:

sweetish

Substance type:

organic

Conclusions:

Under the study conditions, the test substance is a white solid with sweetish odour at ambient temperature.

Executive summary:

A study was conducted to determine the physical state, color and odour of the test substance, C18 ADBAC (active: 97.6%), according to the OCSPP Guidelines 830.6302, 830.6303 and 830.6304, in compliance with GLP. Under the study conditions, the test substance is a white solid with sweetish odour at ambient temperature (Wannenwetsch, 2017).