Ethyl p-toluenesulfonate Property

Melting point:

29-33 °C(lit.)

Boiling point:

158-162 °C10 mm Hg(lit.)

Density 

1.174 g/mL at 25 °C(lit.)

vapor pressure 

0.6 hPa (14 °C)

refractive index 

n20/D 1.511(lit.)

Flash point:

316 °F

storage temp. 

2-8°C

solubility 

1.24g/l

form 

Liquid After Melting

color 

Clear colorless to pale brown

Water Solubility 

Insoluble

Sensitive 

Moisture Sensitive

Merck 

14,3858

BRN 

611213

CAS DataBase Reference

80-40-0(CAS DataBase Reference)

NIST Chemistry Reference

Benzenesulfonic acid, 4-methyl-, ethyl ester(80-40-0)

EPA Substance Registry System

Benzenesulfonic acid, 4-methyl-, ethyl ester (80-40-0)

Safety

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-40-22

Safety Statements 

26-45-36/37/39

RIDADR 

UN2811

WGK Germany 

3

RTECS 

XT6825000

F 

21

Autoignition Temperature

500 °C

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

III

HS Code 

29041000

Hazardous Substances Data

80-40-0(Hazardous Substances Data)

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Ethyl p-toluenesulfonate Chemical Properties,Usage,Production

Chemical Properties

Clear colorless to brownish liquid after melting

Uses

Ethyl p-toluenesulfonate was used to develop an extraction method for methyl and ethyl esters of various sulfonic acids in active pharmaceutical ingredients using solid-phase micro extraction coupled to GC/MS in the selected ion monitoring mode. It was used in a study to develop a fast and accurate method for determination of residues of some common alkylating agents employed in drug synthesis by in situ derivatization-headspace-gas chromatography-mass spectrometry.

Uses

Ethyl p-toluenesulfonate can be used in the manufacture of organic synthesis, and also can be used as intermediate of methylation reagent and sensitive material. It also is flexibilizer of cellulose acetate.

Uses

For ethylation.

Synthesis Reference(s)

Chemical and Pharmaceutical Bulletin, 34, p. 2710, 1986 DOI: 10.1248/cpb.34.2710
The Journal of Organic Chemistry, 39, p. 3454, 1974 DOI: 10.1021/jo00937a050

Safety Profile

Moderately toxic by subcutaneous and intraperitoneal routes. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Combustible when exposed to heat or flame; can react with oxidzing materials. To fight fire, use CO2, dry chemical. When heated to decomposition it emits hlghly toxic fumes of SOx. See also SULFONATES and ESTERS.