Butanoic acid, 4-(4-chloro-2-methylphenoxy)-

• Formula: C₁₀H₁₃ClO₃
• Molecular weight: 216.661
• IUPAC Standard InChI: InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14) Copy

  
• IUPAC Standard InChIKey: LLWADFLAOKUBDR-UHFFFAOYSA-N Copy
• CAS Registry Number: 94-81-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Butyric acid, 4-[(4-chloro-o-tolyl)oxy]-; γ-MCPB; (2-Methyl-4-Chlorophenoxy)butyric acid; (4-Chloro-2-methylphenoxy)butyric acid; [(4-Chloro-o-tolyl)oxy]butyric acid; Bexone; MCPB; Thitrol; Trifolex; U46 MCPB; 2,4-MCPB; 2M 4KhM; 2M-4XM; 4-(2-Methyl-4-Chlorophenoxy)butyric acid; 4-(4-Chloro-2-methylphenoxy)butanoic acid; 4-(4-Chloro-2-methylphenoxy)butyric acid; 4MCPB; 4-(4-Chloro-o-tolyloxy)butyric acid; γ-(2-Methyl-4-chlorophenoxy)butyric acid; γ-(4-Chloro-2-methylphenoxy)butyric acid; Bexane; Legumex; MCP-Butyric; PDQ; Tritrol; Trotox; 4-(4-Chlor-2-methyl-phenoxy)-buttersaeure; Kyselina 4-(4-chlor-2-methylfenoxy)maselna; MB 3046; 4-(2-Methyl-4-chlorphenoxy)-buttersaeure; Belmac straight; Fisons 18-15, MCPB; NSC 102796
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Coblentz Society, Inc.

Spectrum

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Additional Data

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Plato, 1972
Plato, C., DSC as a general method for determining purity and heat of fusion of high-purity organic chemicals, Anal. Chem., 1972, 44, 1531. [all data]

Donnelly, Drewes, et al., 1990, 2
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochimica Acta, 1990, 167, 2, 155-187, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Osselton and Snelling, 1986
Osselton, M.D.; Snelling, R.D., Chromatographic Identification of Pesticides, J. Chromatogr., 1986, 368, 265-271, https://doi.org/10.1016/S0021-9673(00)91068-9 . [all data]

Notes

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• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔfusH	Enthalpy of fusion

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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