| Identification | More | [Name]
Ethyl p-toluenesulfonate | [CAS]
80-40-0 | [Synonyms]
4-METHYLBENZENESULFONIC ACID, ETHYL ESTER
4-TOLUENESULFONIC ACID ETHYL ESTER
ETHYL 4-TOLUENESULFONATE
ETHYL 4-TOLUENESULPHONATE
ethyl p-methylbenzenesulfonate
ETHYL P-TOLUENESULFONATE
ETHYL-P-TOLUENE SULFONIC ACID
ETHYL P-TOLUENESULPHONATE
ETHYL P-TOSYLATE
ETHYL TOLUENE-4-SULPHONATE
ETHYL TOSYLATE
P-TOLUENESULFONATE ETHYL
P-TOLUENESULFONIC ACID ETHYL ESTER
P-TOLUENESULPHONIC ACID ETHYL ESTER
4-methyl-benzenesulfonicaciethylester
Benzenesulfonicacid,4-methyl-,ethylester
Ethyl 4-methylbenzenesulfonate
Ethyl ester of p-Toluenesulfonic acid
Ethyl para-toluenesulfonate
Ethyl p-TS | [EINECS(EC#)]
201-276-7 | [Molecular Formula]
C9H12O3S | [MDL Number]
MFCD00009100 | [Molecular Weight]
200.25 | [MOL File]
80-40-0.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to pale brown liquid after melting | [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.)
| [Fp ]
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 | [InChI]
1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 | [InChIKey]
VRZVPALEJCLXPR-UHFFFAOYSA-N | [SMILES]
CCOS(=O)(=O)c1ccc(C)cc1 | [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]
80-40-0(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R40:Limited evidence of a carcinogenic effect.
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN2811 | [WGK Germany ]
3
| [RTECS ]
XT6825000
| [F ]
21 | [Autoignition Temperature]
500 °C | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29041000 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | [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. | [Hazardous Substances Data]
80-40-0(Hazardous Substances Data) |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colorless to brownish liquid after melting | [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 | [General Description]
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com. | [reaction suitability]
reagent type: reductant | [References]
[1] Amasa Nageswari, Khagga M., Kallam Venkata Siva Rama Krishna Reddy. (2011). A Sensitive and Simple HPLC-UV Method for Trace Level Quantification of Ethyl p-Toluenesulfonate and Methyl p-Toluenesulfonate, Two Potential Genotoxins in Active Pharmaceutical Ingredients. Scientia Pharmaceutica, 79 4, 865–876. https://doi.org/10.3797/scipharm.1106-23 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|