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Butyl 4-methylbenzenesulfonate | 778-28-9

Product name:Butyl 4-methylbenzenesulfonate

CAS No:778-28-9
MF:C11H16O3S
MW:228.3079
MDL:MFCD00027203
CID:565373
PubChem ID:87576588
Names and Identifiers
  • Benzenesulfonic acid,4-methyl-, butyl ester
  • Butyl p-Toluenesulfonate
  • butyl 4-methylbenzenesulfonate
  • n-Butyl p-Toluenesulfonate
  • p-Toluenesulfonic Acid Butyl Ester
  • Butyl tosylate
  • Butyl p-methylbenzenesulfonate
  • Butyl-p-toluenesulfonate
  • p-Toluenesulfonic acid n-butyl ester
  • p-TOLUENESULFONIC ACID, BUTYL ESTER
  • Benzenesulfonic acid, 4-methyl-, butyl ester
  • Butyl toluene-4-sulphonate
  • p-Toluene sulfonic acid, butyl ester
  • 00XW1Q3QO1
  • butyl 4-methylbenzene-1-sulfonate
  • Itraconazole Impurity 2
  • butyl-p-toluene sulphonate
  • Butyl p-toluenesulfonate
  • Butyl-p-toluolsulfonat
  • Q27231387
  • T0727
  • AKOS009028850
  • NSC 6190
  • 778-28-9
  • NSC-6190
  • BRN 1428508
  • butyl-4-methylbenzenesulfonate
  • MFCD00027203
  • FT-0632944
  • DTXSID8061133
  • WLN: 4OSWR D1
  • toluene-4-sulfonic acid butyl ester
  • NSC6190
  • NS00037953
  • Butyl ester of 4-Toluenesulfonic acid
  • n-butyl tosylate
  • CCRIS 9148
  • A839206
  • Butyl para-toluenesulfonate
  • EN300-19213
  • AS-17764
  • AI3-02551
  • butyltosylate
  • H10686
  • EINECS 212-295-5
  • n-Butyl p-toluenesulfonate
  • 4-methyl-benzenesulfonic acid butyl ester
  • SY053065
  • UNII-00XW1Q3QO1
  • SCHEMBL187914
  • Butyl 4-methylbenzenesulfonate
  • CS-0152078
  • MDL:MFCD00027203
  • InChIKey:QYJXDIUNDMRLAO-UHFFFAOYSA-N
  • Inchi:1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
  • SMILES:S(C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])(=O)(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
  • BRN:1428508
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 228.08200
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Rotatable Bond Count: 5
  • Monoisotopic Mass: 228.082
  • Heavy Atom Count: 15
  • Complexity: 258
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 2.7
  • Surface Charge: 0
  • Topological Polar Surface Area: 51.8

Experimental Properties

  • LogP: 3.58120
  • PSA: 51.75000
  • Refractive Index: 1.5085 (589.3 nm 20 ºC)
  • Boiling Point: 172°C/10mmHg(lit.)
  • Flash Point: 156.6°C
  • Solubility: Very slightly soluble (0.17 g/l) (25 º C),
  • Color/Form: Not determined
  • Solubility: Not determined
  • Sensitiveness: Sensitive to humidity
  • Density: 1.1319 g/cm3 (20 ºC)
Security Information
  • RTECS:XT6400000
  • Safety Instruction:S37/39; S26
  • Risk Phrases:R36/37/38; R22
  • ป้ายอันตราย: Xn Xn
  • Hazard Statement:H315; H319; H335
  • Warning Statement:P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
  • Storage Condition:Store at room temperature
  • Hazard Category Code:36/37/38-22
  • Signal Word:Warning
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