Cas no 4455-09-8 (2-Phenylethyl 4-methylbenzenesulfonate)

2-Phenylethyl 4-methylbenzenesulfonate is an organic sulfonate ester commonly utilized as an intermediate in synthetic organic chemistry. Its structure, featuring a phenylethyl group linked to a tosylate moiety, makes it valuable for nucleophilic substitution reactions, particularly in the preparation of phenylethyl derivatives. The compound exhibits good stability under standard conditions and offers predictable reactivity, facilitating controlled transformations in complex syntheses. Its tosylate group serves as an effective leaving group, enabling efficient alkylation or arylation processes. This reagent is particularly useful in pharmaceutical and fine chemical applications where precise functionalization of aromatic systems is required. Proper handling should account for its potential sensitivity to hydrolysis under acidic or basic conditions.
2-Phenylethyl 4-methylbenzenesulfonate structure
4455-09-8 structure
Product Name:2-Phenylethyl 4-methylbenzenesulfonate
CAS No:4455-09-8
MF:C15H16O3S
MW:276.350743293762
MDL:MFCD06248628
CID:332349
PubChem ID:87576249
Update Time:2025-10-13

2-Phenylethyl 4-methylbenzenesulfonate Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,4-methyl-, 2-phenylethyl ester
    • Phenethyl p-Toluenesulfonate
    • 2-Phenylethyl 4-methylbenzenesulfonate
    • Pentafluorobenzyl p-toluenesulfonate
    • 2-Phenylethyl p-Toluenesulfonate
    • p-Toluenesulfonic Acid 2-Phenylethyl Ester
    • p-Toluenesulfonic Acid Phenethyl Ester
    • PHENETHYL TOSYLATE
    • phenethyl 4-methylbenzenesulfonate
    • CVPPUZPZPFOFPK-UHFFFAOYSA-N
    • C15H16O3S
    • Phenylethyl Tosylate
    • 2-phenylethyl tosylate
    • BARIUM 3-ETHYLHEXANOATE
    • ARONIS010130
    • C14H9F5O3S
    • CVPPUZPZPFOFPK-UHFFFAOYSA-
    • SBB006308
    • BBL022909
    • NSC142250
    • 3790AE
    • STL065671
    • ANW-1
    • DTXSID80196218
    • EN300-7235630
    • CS-0153015
    • FT-0635305
    • toluene-4-sulfonic acid phenethyl ester
    • NSC 142250
    • NCGC00161069-01
    • 2-Phenylethyl 4-methylbenzenesulfonate #
    • MFCD00059322
    • phenethyl4-methylbenzenesulfonate
    • NCGC00161069-02
    • SCHEMBL241683
    • InChI=1/C15H16O3S/c1-13-7-9-15(10-8-13)19(16,17)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
    • 4455-09-8
    • 2-phenylethyl 4-methylbenzene-1-sulfonate
    • AKOS000499138
    • VS-07277
    • D82117
    • T0270
    • NSC-142250
    • DB-051228
    • MDL： MFCD06248628
    • Inchi： 1S/C15H16O3S/c1-13-7-9-15(10-8-13)19(16,17)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
    • InChI Key： CVPPUZPZPFOFPK-UHFFFAOYSA-N
    • SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)OCCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 276.08200
  • Monoisotopic Mass: 276.08201554g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 344
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 51.8
  • Surface Charge: 0

Experimental Properties

  • Color/Form: Uncertain
  • Melting Point: 38.0 to 41.0 deg-C
  • PSA: 51.75000
  • LogP: 4.02380
  • Solubility: Uncertain

2-Phenylethyl 4-methylbenzenesulfonate Security Information

  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT
  • Storage Condition：0-10°C

2-Phenylethyl 4-methylbenzenesulfonate Customs Data

  • HS CODE：2906299090
  • Customs Data：

    China Customs Code:

    2906299090

    Overview:

    2906299090 Other aromatic alcohols. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2906299090 other aromatic alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

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2-Phenylethyl 4-methylbenzenesulfonate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:4455-09-8)2-Phenylethyl 4-methylbenzenesulfonate
Order Number:A1203685
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:50
Price ($):186.0

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Amadis Chemical Company Limited
(CAS:4455-09-8)2-Phenylethyl 4-methylbenzenesulfonate
A1203685
Purity:99%
Quantity:100g
Price ($):186.0
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