Oxacyclohexadecan-2-one

• Formula: C₁₅H₂₈O₂
• Molecular weight: 240.3816
• IUPAC Standard InChI: InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2 Copy

  
• IUPAC Standard InChIKey: FKUPPRZPSYCDRS-UHFFFAOYSA-N Copy
• CAS Registry Number: 106-02-5
• 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.
• Other names: Cyclopentadecanolide; Exaltolide; Muskalactone; Muskolactone; Pentadecalactone; Pentadecanoic acid, 15-hydroxy-, ξ-lactone; Pentadecanolide; Thibetolide; 1,15-Pentadecanolide; 15-Hydroxypentadecanoic acid, lactone; 2-Pentadecalone; Cyclopentadecanolactone; 15-Pentadecanolide; 15-Pentadecanolactone; Pentadecanolactone; Pentadecan-15-olide; Pentadecano-15-lactone; Pentalide; NSC 36763
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Condensed phase thermochemistry data
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of solid

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

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, isothermal

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Kovats' RI, non-polar column, temperature ramp

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Kovats' RI, polar column, temperature ramp

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, 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.

Yevstropov, Lebedev, et al., 1983
Yevstropov, A.A.; Lebedev, B.V.; Kiparisova, Ye.G., Thermodynamics of pentadecanolactone, of the process of its polymerization and of the resultant polypentadecanolactone in the 0-400 K region, Polym. Sci. USSR, 1983, 25, 1951-1959. [all data]

Lebedev, Yevstropov, et al., 1981
Lebedev, B.V.; Yevstropov, A.A.; Kiparisova, Ye.G., Thermodynamics of undecanolactone, tridecanolactone, and pentadecanolactone from 0 to 340 K, J. Chem. Thermodyn., 1981, 13, 1185-1204. [all data]

Yevstropov, Lebedev, et al., 1983, 2
Yevstropov, A.A.; Lebedev, B.V.; Krparisova, Ye.G., Thermodynamics of pentadecanolactone, of the process of its polymerization and of the resultant polypentadecanolactone in the 0 to 400 K region, Vysokomol. Soedin, Ser., 1983, A 25(8), 1679-1685. [all data]

Lebedev, Yevstropov, et al., 1981, 2
Lebedev, B.V.; Yevstropov, A.A.; Kiparisova, Y.G., Thermodynamic properties of undecanolactone over the range, 1981, Termodin. [all data]

Tudor, 1997
Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6 . [all data]

Lopes, Strobl, et al., 2004
Lopes, D.; Strobl, H.; Kolodziejczyk, P., 14-Methylpentadecano-15-lactone (Muscolide): a new macrocyclic lactone from the oil of Angelica archangelica L., Chemistry and Biodiversity, 2004, 1, 12, 1880-1887, https://doi.org/10.1002/cbdv.200490144 . [all data]

Marongiu, Piras, et al., 2003
Marongiu, B.; Piras, A.; Pani, F.; Porcedda, S.; Ballero, M., Extraction, separation and isolation of essential oils from natural matrices by supercritical CO₂, Flavour Fragr. J., 2003, 18, 6, 505-509, https://doi.org/10.1002/ffj.1258 . [all data]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Jassbi, Mehrdad, et al., 2005
Jassbi, A.R.; Mehrdad, M.; Soleimani, M.; Mirzaeian, M.; Sonboli, A., Chemical composition of the essential oils of Bunium elegans and Bunium caroides, Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 4, 415-417, https://doi.org/10.1007/s10600-005-0165-0 . [all data]

Khanavi, Ghasemian, et al., 2005
Khanavi, M.; Ghasemian, L.; Motlagh, E.H.; Hadjiakhoondi, A.; Shafiee, A., Chemical composition of the essential oils of Marrubium parviflorum Fisch. C.A. Mey. and Marrubium vulgare L. from Iran, Flavour Fragr. J., 2005, 20, 3, 324-326, https://doi.org/10.1002/ffj.1425 . [all data]

Malencic, Couladis, et al., 2004
Malencic, Dj.; Couladis, M.; Mimica-Dukic, N.; Popovic, M.; Boza, P., Essential oils of three Salvia species from the Pannonian part of Serbia, Flavour Fragr. J., 2004, 19, 3, 225-228, https://doi.org/10.1002/ffj.1291 . [all data]

de Beck, Bessière, et al., 2000
de Beck, P.O.; Bessière, J.M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M., Volatile constituents from leaves and wood of Leea guineensis G. Don (Leeaceae) from Cameroon, Flavour Fragr. J., 2000, 15, 3, 182-185, https://doi.org/10.1002/1099-1026(200005/06)15:3<182::AID-FFJ888>3.0.CO;2-X . [all data]

Doneanu and Anitescu, 1998
Doneanu, C.; Anitescu, G., Supercritical carbon dioxide extraction of Angelica archangelica L. root oil, J. Supercrit. Fluids, 1998, 12, 1, 59-67, https://doi.org/10.1016/S0896-8446(97)00040-5 . [all data]

Butkienë, Nivinskienë, et al., 2005
Butkienë, R.; Nivinskienë, O.; Mockutë, D., α-Pinene chemotype of leaf (needle) essential oils of Juniperus communis L. growing wild in Vilnius district, Chemija, 2005, 16, 1, 53-60. [all data]

Nivinskienë, Butkienë, et al., 2005
Nivinskienë, O.; Butkienë, R.; Mockutë, D., Chemical composition of seed (fruit) essential oils of Angelica archangelica L. growing wild in Lithuania, Chemija, 2005, 16, 3-4, 51-54. [all data]

Butkienë, Nivinskienë, et al., 2004
Butkienë, R.; Nivinskienë, O.; Mockutë, D., Chemical composition of unripe and ripe berry essential oils of Juniperus communis L. growing wild in Vilnius district, Chemija, 2004, 15, 4, 57-63. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Kerrola and Kallio, 1994
Kerrola, K.M.; Kallio, H.P., Extraction of volatile compounds of angelica (Angelica archangelica L.) root by liquid carbon dioxide, J. Agric. Food Chem., 1994, 42, 10, 2235-2245, https://doi.org/10.1021/jf00046a030 . [all data]

Notes

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• Symbols used in this document:
  

  Cp,solid	Constant pressure heat capacity of solid
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions

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