3-bromoanisole

Density

Link to relevant study record(s)

Reference

Endpoint:

density

Remarks:

density

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2017-02-08 – 2017-02-08

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Experimental result performed using standard methods of analysis

Qualifier:

according to guideline

Guideline:

OECD Guideline 109 (Density of Liquids and Solids)

Principles of method if other than guideline:

The density is calculated from the difference in weight between the full and empty pycnometer and its volume

GLP compliance:

no

Type of method:

pycnometer method

Specific details on test material used for the study:

- Name of the test material: 3-bromoanisole
- Molecular formula: C7H7BrO
- Molecular weight: 187.035 g/mol
- Substance type: Organic
- Smiles: c1(cc(ccc1)Br)OC
-Physical state-Liquid

Key result

Type:

density

Density:

1.482 g/cm³

Temp.:

20 °C

Method Details		Observed Values
		1st Observation	2nd Observation
Guideline	OECD 109
Method	IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision)
Principle of Method	Determination of the mass at a given temperature of a volume of the material contained in a density bottle (pycnometer) and determination of the volume of the latter by determining the mass of the corresponding volume of water at the same temperature. The density is obtained by dividing the mass of material by its volume.
Test temperature	(°C)	20 °C	20.0°C
Atmospheric pressure	(hPa)	976.4	976.5
Weight of empty dry pyknometer(X)	g	31.213	29.212
Weight of pyknometer + test item (Y)	g	104.953	102.984
Apparent mass of test item (M1)	(M1 = Y - X) g	73.740	73.772
Weight of pyknometer + water (Z)	g	80.801	78.875
Apparent mass of water (M2)	(M2 = Z - X) g	49.588	49.663
Buoyancy correction (A)	A = (*ρat × M2)	0.057	0.058
(WA-WB)	g/cm³ (ρtw)	0.9982	0.9982

 

CALCULATIONS:

1st calculated density	2nd calculated density
(73.740+ 0.057) ____________ X 0.9982 = 1.043 g/cm3 g/cm³ (49.588+0.057)	(73.772+0.058) ____________ X 0.9982 = 1.482 g/cm3 g/cm³ (49.663+0.058)
Average density	= 1.0482 g/cm³

Conclusions:

The density of substance 3-bromoanisole (CAS No. 2398-37-0) was determined following OECD Guideline 109 and to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]. The mean density of substance 3-bromoanisole was determined to be 1.482 g/cm³ at 20°C and 976.4 hPa.

Executive summary:

The density of substance 3-bromoanisole (CAS No. 2398-37-0) was determined following OECD Guideline 109 and to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]. The mean density of substance 3-bromoanisole was determined  to be 1.482 g/cm³ at 20°C and 976.4 hPa.

Description of key information

The density of substance 3-bromoanisole (CAS No. 2398-37-0) was determined following OECD Guideline 109 and to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]. The mean density of substance 3-bromoanisole was determined  to be 1.482 g/cm³ at 20°C and 976.4 hPa.

Key value for chemical safety assessment

Relative density at 20C:

1.482

Additional information

The density of substance 3-bromoanisole (CAS No. 2398-37-0) was determined following OECD Guideline 109 and to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]. The mean density of substance 3-bromoanisole was determined  to be 1.482 g/cm³ at 20°C and 976.4 hPa.

Other supporting studies from authoritative database suggests that the density of chemical 3-bromoanisole was determined to be 1.49 g/cm3 at 20 degree C.

Based on prediction done by ACD/Labs ,the density of chemical 3 -bromoanisole was estimated to 1.442±0.06 g/cm3 at 20 degree C.

As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of density as 1.482 g/cm3 at 20 degree C,thus considered as key study for the chemical safety assessment.