ChemicalBook--->CAS DataBase List--->80-40-0

80-40-0

80-40-0 Structure

80-40-0 Structure
IdentificationMore
[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 PropertiesBack 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
[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 DataBack Directory
[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
[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)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tosyl chloride
[Preparation Products]

Ethyl 2-hydroxybenzoate-->Ethylthiocyanate-->3-Fluorophenetole-->5-CHLORO-3-ETHYL-2-METHYLBENZOTHIAZOLIUM P-TOLUENESULFONATE-->N-ETHYL-3-ETHYL PIPERIDINECARBOXYLATE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Methylbenzenesulfonic acid ethyl ester(80-40-0).msds
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl p-toluenesulfonate(80-40-0)MS
Ethyl p-toluenesulfonate(80-40-0)1HNMR
Ethyl p-toluenesulfonate(80-40-0)13CNMR
Ethyl p-toluenesulfonate(80-40-0)IR1
Ethyl p-toluenesulfonate(80-40-0)IR2
Ethyl p-toluenesulfonate(80-40-0)IR3
Ethyl p-toluenesulfonate(80-40-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl p-toluenesulfonate, 98%(80-40-0)
[Alfa Aesar]

Ethyl p-toluenesulfonate, 98%(80-40-0)
[Sigma Aldrich]

80-40-0(sigmaaldrich)
[TCI AMERICA]

Ethyl p-Toluenesulfonate,>98.0%(T)(80-40-0)
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