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Ethyl p-toluenesulfonate

Ethyl p-toluenesulfonate structure

CAS No:
80-40-0
Formula:
C9H12O3S
Chemical Name:
Ethyl p-toluenesulfonate
Synonyms:
Benzenesulfonic acid,4-methyl-,ethyl ester;p-Toluenesulfonic acid,ethyl ester;Ethyl p-methylbenzenesulfonate;Ethyl p-toluenesulfonate;Ethyl tosylate;Ethyl p-tosylate;Ethyl toluenesulfonate;Ethyl 4-toluenesulfonate;Ethyl 4-methylbenzenesulfonate;Toluene-4-sulfonic acid ethyl ester;NSC 8887;Aldrich 104256;1195611-43-8
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Clear colorless to brownish liquid after melting

Ethyl p-toluenesulfonate Basic Attributes

Molecular Weight：

200.25

Exact Mass：

200.25

BRN：

611213

EC Number：

201-276-7

UNII：

2160N0YURF

NSC Number：

8887

DSSTox ID：

DTXSID2058833

Color/Form：

MONOCLINIC CRYSTALS|MONOCLINIC PRISMS FROM ACETIC ACID, ETHYL ACETATE

HScode：

29041000

Characteristics

PSA：

51.8

XLogP3：

1.8

Appearance：

Clear colorless to pale brown Liquid After Melting

Density：

1.17 g/cm³

Melting Point：

33 °C

Boiling Point：

173 °C @ Press: 15 Torr

Flash Point：

316 °F

Refractive Index：

1.513

Water Solubility：

H2O: Insoluble

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.6 hPa (14 °C)

Experimental Properties：

Combustible

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN2811

wgk germany：

hazard class code：

36/37/38-40-22

safety instructions：

26-45-36/37/39

RTECS Number：

XT6825000

Marks：

Xi,Xn

Stability/Shelf Life：

UNSTABLE SOLID

Precautionary statement(s)：

P260, P261, P264, P270, P271, P272, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

Disposal Methods：

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

GHS Classification：

|Danger|H302 (22.95%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 62 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl p-toluenesulfonate Use and Manufacturing

Methods of Manufacturing

By esterification of p-toluenesulfonyl chloride and ethanol. Add p-toluenesulfonyl chloride to absolute ethanol and dissolve slightly. The sodium hydroxide solution was slowly added dropwise at 10-12°C, the temperature did not exceed 15°C, the pH value was measured every half hour, and the reaction was maintained at 9.3-9.7 for 4 hours. Add ice water, cool to 0 ℃, precipitation crystals. Filter and dry to obtain ethyl p-toluenesulfonate.

Uses

For ethylation.

Manufacturing Info：

Benzenesulfonic acid, 4-methyl-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:200.26
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:200.05071541
Monoisotopic Mass:200.05071541
Topological Polar Surface Area:51.8
Heavy Atom Count:13
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 80-40-0

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Content: 99%

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