Massoilactone

Formula: C₁₀H₁₆O₂
Molecular weight: 168.2328
IUPAC Standard InChI: InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3
IUPAC Standard InChIKey: NEDIAPMWNCQWNW-UHFFFAOYSA-N
CAS Registry Number: 51154-96-2
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.
Species with the same structure:
- 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-
Other names: 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-, (R)-; (R)-(-)-Massoilactone; Massoia lactone; 6-Pentyl-5,6-dihydro-2H-pyran-2-one, (6R)-; 5,6-Dihydro-6-pentyl-(2H)-pyran-2-one-, (R); Massoya lactone; Cocolactone; 5,6-Dihydro-6-pentyl-(2H)-pyran-2-one, massoi lactone; 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-, (6R)-; 5-Pentylpent-2-en-5-olide; 6-pentyl-5,6-dihydropyran-2-one
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	BP-1	1433.	Boti J.B., Koukoua G., et al., 2005	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	BP-20	2241.	Boti J.B., Koukoua G., et al., 2005	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1483.	Ferhat, Tigrine-Kordjani, et al., 2007	30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min
Capillary	HP-5 MS	1483.	Tigrine-Kordiani, Meklati, et al., 2006	30. m/0.25 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min

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

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Column type	Active phase	I	Reference	Comment
Capillary		1442.	El-Shazily, Hafez, et al., 2004	Program: not specified
Capillary	CP Sil 5 CB	1446.	Weyerstahl, Marschall, et al., 1998	He; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	Carbowax	2247.	Ferhat, Tigrine-Kordjani, et al., 2007	60. m/0.2 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min
Capillary	Carbowax-PEG	2247.	Tigrine-Kordiani, Meklati, et al., 2006	60. m/0.20 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min
Capillary	TC-Wax	2255.	Shuichi, Masazumi, et al., 1996	80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 240. C

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	FFAP	2241.	Tucker, Maciarello, et al., 2001	50. m/0.2 mm/0.33 μm; Program: 60C(1min) => 2.5C/min => 115C => 1C/min => 210C(30min)
Capillary	DB-Wax	2260.	Weyerstahl, Marschall, et al., 1998	N2; Column length: 60. m; Phase thickness: 0.25 μm; Program: not specified

References

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Boti J.B., Koukoua G., et al., 2005
Boti J.B.; Koukoua G.; N'Guessan T.Y.; Muselli A.; Bernardini A.F.; Casanova J., Composition of the leaf, stem bark and root bark oils of Isolona cooperi investigated by GC (retention index), GC-MS and C-13-NMR spectroscopy, Phytochem. Anal., 2005, 16, 5, 357-363, https://doi.org/10.1002/pca.857 . [all data]

Ferhat, Tigrine-Kordjani, et al., 2007
Ferhat, M.A.; Tigrine-Kordjani, N.; Chemat, S.; Meklati, B.Y.; Chemat, F., Rapid Extraction of Volatile Compounds Using a New Simultaneous Microwave Distillation: Solvent Extraction Device, Chromatographia, 2007, 65, 3-4, 217-222, https://doi.org/10.1365/s10337-006-0130-5 . [all data]

Tigrine-Kordiani, Meklati, et al., 2006
Tigrine-Kordiani, N.; Meklati, B.Y.; Chemat, F., Abalysis by gas chromatography - mass spectrometry of the essential oil of Zygophyllum album L., an aromatic and medicinal plant growing in Algeria, Int. J. Aromatherapy, 2006, 16, 3-4, 187-191, https://doi.org/10.1016/j.ijat.2006.09.008 . [all data]

El-Shazily, Hafez, et al., 2004
El-Shazily, A.M.; Hafez, S.S.; Wink, M., Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt, Pharmazie, 2004, 59, 226-230. [all data]

Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H., Constituents of commercial Labdanum oil, Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I . [all data]

Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F., Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki, Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]

Tucker, Maciarello, et al., 2001
Tucker, A.O.; Maciarello, M.J.; Alkire, B.H., Essential oil of Aeollanthus suaveolens Mart. ex Spreng. (Lamiaceae), J. Essent. Oil Res., 2001, 13, 3, 198-199, https://doi.org/10.1080/10412905.2001.9699662 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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