p-Toluenesulfonic Acid Ethyl Ester - Materials / Alfa Chemistry

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p-Toluenesulfonic Acid Ethyl Ester

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Catalog Number

ACMA00017175

Product Name

p-Toluenesulfonic Acid Ethyl Ester

Category

Polymers

IUPAC Name

ethyl 4-methylbenzenesulfonate

Molecular Weight

200.26g/mol

Molecular Formula

C9H12O3S

Canonical SMILES

CCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

InChI Key

VRZVPALEJCLXPR-UHFFFAOYSA-N

Boiling Point

173 °C @ 15 MM HG

Melting Point

34.5 °C;33 °C

Flash Point

316 °F

Density

1.17

Solubility

INSOL IN WATER; SOL IN ALC, ETHER, HOT ACETIC ACID;SOL IN HOT ETHYL ACETATE

Color/Form

MONOCLINIC CRYSTALS;MONOCLINIC PRISMS FROM ACETIC ACID, ETHYL ACETATE

Complexity

232

Covalently-Bonded Unit Count

EC Number

201-276-7

Exact Mass

200.050715g/mol

Formal Charge

Heavy Atom Count

Log P

1.81 (LogP);Log kow = 1.81

Monoisotopic Mass

200.050715g/mol

NSC Number

8887

Other Experimental

Combustible

Rotatable Bond Count

Stability

UNSTABLE SOLID

UNII

2160N0YURF

XLogP3

1.8

MSDS

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COA

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Spec Sheet

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