Anethole

• Formula: C₁₀H₁₂O
• Molecular weight: 148.2017
• IUPAC Standard InChI: InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3 Copy

  
• IUPAC Standard InChIKey: RUVINXPYWBROJD-UHFFFAOYSA-N Copy
• CAS Registry Number: 104-46-1
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Stereoisomers:
  • Benzene, 1-methoxy-4-(1-propenyl)-, (Z)-
  • Anethole
• Other names: Benzene, 1-methoxy-4-(1-propenyl)-; Anisole, p-propenyl-; p-(1-Propenyl)anisole; p-Methoxy-β-methylstyrene; p-Propenylanisole; p-Propenylphenyl methyl ether; Anethol; Anise camphor; Aniskampfer; Isoestragole; Methoxy-4-propenylbenzene; Nauli "gum"; Oil of aniseed; 1-Methoxy-4-(1-propenyl)benzene; 1-Methoxy-4-propenylbenzene; 1-Propene, 1-(4-methoxyphenyl)-; 4-Methoxy-1-propenylbenzene; 4-Methoxypropenylbenzene; 4-Propenylanisole; Propene, 1-(p-methoxyphenyl)-; 1-(p-Methoxyphenyl)propene; Monasirup; Nauli gum; 4-(1-Propenyl)anisole; Benzene, 1-methoxy-4-(1-propen-1-yl)-; NSC 4018; p-Anethole
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

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

Gas Phase 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

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes

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

Swietoslawski and Starczewska, 1928
Swietoslawski, W.; Starczewska, H., Influence of certain corrections on the results of measurements of the heat of combustion of organic substances, Bull. Int. Acad. Pol. Sci. Lett. Cl. Med., 1928, 85-97. [all data]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Levy and Dvoleitzska-Gombinska, 1931
Levy, J.; Dvoleitzska-Gombinska, Affinity Capacities and Migration Tendencies XI. Comparison of the Affinity Capacities of Aryl and Alkyl Radicals, Bull. Soc. Chim. Fr., 1931, 49, 1765-6. [all data]

Louguinine and Dupont, 1911
Louguinine, W.; Dupont, G., The heat of fusion of substances which melt at ordinary temperatures., Bull. Soc. Chim. Fr., 1911, 9, 219-224. [all data]

van Roon, Parsons, et al., 2002
van Roon, André; Parsons, John R.; Govers, Harrie A.J., Gas chromatographic determination of vapour pressure and related thermodynamic properties of monoterpenes and biogenically related compounds, Journal of Chromatography A, 2002, 955, 1, 105-115, https://doi.org/10.1016/S0021-9673(02)00200-5 . [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔvapH°	Enthalpy of vaporization at standard conditions

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