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
- IUPAC Standard InChIKey: FKUPPRZPSYCDRS-UHFFFAOYSA-N
- 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
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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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Sadtler Research Labs Under US-EPA Contract |
| State | gas |
Gas Chromatography
Go To: Top, IR Spectrum, References, Notes
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
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 100. | 1840.6 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1828. | Lopes, Strobl, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | DB-5 | 1806. | Marongiu, Piras, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 30. min; Tstart: 60. C |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2233. | Lopes, Strobl, et al., 2004 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1839. | Radulovic, Blagojevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
| Capillary | CP Sil 5 CB | 1839. | Jassbi, Mehrdad, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min, 250. C @ 10. min; Tstart: 60. C |
| Capillary | DB-1 | 1821. | Khanavi, Ghasemian, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min |
| Capillary | HP-5MS | 1823. | Malencic, Couladis, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | Optima-1 | 1846. | de Beck, Bessière, et al., 2000 | 25. m/0.20 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; Tend: 250. C |
| Capillary | SPB-5 | 1844. | Doneanu and Anitescu, 1998 | 50. m/0.32 mm/0.25 μm, He, 3. K/min, 240. C @ 20. min; Tstart: 60. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 8 CB | 1834. | Butkienë, Nivinskienë, et al., 2005 | 50. m/0.32 mm/0.25 μm, He; Program: 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) |
| Capillary | CP Sil 8 CB | 1828. | Nivinskienë, Butkienë, et al., 2005 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 5C/min => 160C => 5C/min => 250C(3min) |
| Capillary | CP Sil 8 CB | 1834. | Butkienë, Nivinskienë, et al., 2004 | 50. m/0.32 mm/0.25 μm, He; Program: 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) |
| Capillary | SE-30 | 1823. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 2255. | Vinogradov, 2004 | Program: not specified |
| Capillary | NB-351 | 2242. | Kerrola and Kallio, 1994 | 25. m/0.32 mm/0.2 μm, He; Program: 35C(5min) => 2.5C/min => 150C => 5C/min => 240C (20min) |
References
Go To: Top, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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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