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2-(p-sec-Butylphenyl)propionic Acid | 64451-76-9

Product name:2-(p-sec-Butylphenyl)propionic Acid

CAS No:64451-76-9
MF:C13H18O2
MW:206.280824184418
CID:1075556
PubChem ID:562967
Names and Identifiers
  • Imp. O (EP): 2-[4-(1-Methylpropyl)-phenyl]propanoic Acid
  • 2-(p-sec-Butylphenyl)propionic Acid
  • 2-(4-butan-2-ylphenyl)propanoic acid
  • 2-[4-(1-Methylpropyl)phenyl]propanoic Acid
  • 2-(4-(1-Methylpropyl)phenyl)propanoic acid
  • Ibuprofen impurity O [EP]
  • Hydratropic acid, p-sec-butyl-
  • OWMZINYEXURWLF-UHFFFAOYSA-N
  • 2-(4-Sec-butylphenyl)propanoic acid #
  • 2-(4-(But-2-yl)phenyl)propanoic acid
  • 2-[4-(butan-2-yl)phenyl]propanoic acid
  • 2-[4-(1-Methylpropyl)-phenyl]propanoic Acid
  • (+/-)-2-(4-(1-Methylpropyl)phenyl)propan
  • InChIKey:OWMZINYEXURWLF-UHFFFAOYSA-N
  • Inchi:1S/C13H18O2/c1-4-9(2)11-5-7-12(8-6-11)10(3)13(14)15/h5-10H,4H2,1-3H3,(H,14,15)
  • SMILES:OC(C(C)C1C=CC(=CC=1)C(C)CC)=O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 206.28g/mol
  • Surface Charge: 0
  • XLogP3: 3.6
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Rotatable Bond Count: 4
  • Monoisotopic Mass: 206.13068g/mol
  • Monoisotopic Mass: 206.13068g/mol
  • Topological Polar Surface Area: 37.3Ų
  • Heavy Atom Count: 15
  • Complexity: 205
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1

Experimental Properties

  • Melting Point: 45 - 50°C
  • Solubility: Chloroform (Slightly), Methanol (Slightly)
Security Information
  • Safety Instruction:H303+H313+H333
  • Hazard Statement:H303 may be harmful by ingestion +h313 may be harmful by skin contact +h333 may be harmful by inhalation
  • Warning Statement:P264+P280+P305+P351+P338+P337+P313
  • Storage Condition:Refrigerator
  • Signal Word:warning
Related Products
Price Data Available
Brand:sigmaaldrich Supplier:西格玛奥德里奇(上海)贸易有限公司
No. Purity Stock Specification Price update time operate
PHR1983-30MG 30MG ¥5508.91 14 Jan. 2023
PHR1983-30MG 30mg ¥4688.39 14 Oct. 2023
Brand:a2bchem Supplier:A2B Chem LLC
No. Purity Stock Specification Price update time operate
AG68425-100mg 3 weeks 100mg $1901.00/ ¥13,807.34 30 Dec. 2023
AG68425-10mg 3 weeks 10mg $348.00/ ¥2,527.59 30 Dec. 2023
Brand:trc Supplier:TRC
No. Purity Stock Specification Price update time operate
B692720-100mg 0.0 100mg $ 1978.00/ ¥14,366.61 08 Sep. 2023
B692720-10mg 0.0 10mg $ 253.00/ ¥1,837.59 08 Sep. 2023
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