6,7-Epoxymyrcene

Formula: C₁₀H₁₆O
Molecular weight: 152.2334
IUPAC Standard InChI: InChI=1S/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5,9H,1-2,6-7H2,3-4H3
IUPAC Standard InChIKey: DQGZGGZXMOFHLB-UHFFFAOYSA-N
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:
- 6,7-Epoxymyrcene
Other names: Myrcene epoxide; Epoxymyrcene
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Gas Chromatography

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

Kovats' RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1091.	Adams and Nguyen, 2005	30. m/0.26 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 246. C
Capillary	SE-54	1091.	Adams, 2000	30. m/0.26 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 246. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	BPX-5	1099.	Cardeal, da Silva, et al., 2006	30. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1415.	Njoroge, Koaze, et al., 2005	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1088.	Georgiou, Koutsaviti, et al., 2010	30. m/0.32 mm/0.25 μm, Helium, 3. K/min; T_start: 60. C; T_end: 280. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1064.	Figueiredo, Miguel, et al., 2001	30. m/0.25 mm/0.25 μm; Program: 45 0C 3 K/min -> 175 0C 15 K/min -> 300 0C (10 min)
Capillary	DB-1	1071.	Kéita, Vincent, et al., 2000	30. m/0.25 mm/0.25 μm, He; Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1415.	Njoroge, Koaze, et al., 2005, 2	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-Innowax FSC	1398.	Viljoen, Subramoney, et al., 2005	60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
Capillary	RTX-Wax	1384.	Kéita, Vincent, et al., 2000	30. m/0.25 mm/0.25 μm, He; Program: not specified

References

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Adams and Nguyen, 2005
Adams, R.P.; Nguyen, S., Infra-specific variation in Juniperus deppeana and F. Sperryi in the Davis Mountains of Texas: variation in leaf essential oils and random amplified polymorphic DNAS (RAPDS), Phytologia, 2005, 87, 2, 96-108. [all data]

Adams, 2000
Adams, R.P., Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting, Biochem. Syst. Ecol., 2000, 28, 2, 149-162, https://doi.org/10.1016/S0305-1978(99)00047-2 . [all data]

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M., Volatile Constituents of Redblush Grapefruit ( Citrus paradisi) and Pummelo ( Citrus grandis) Peel Essential Oils from Kenya, J. Agric. Food Chem., 2005, 53, 25, 9790-9794, https://doi.org/10.1021/jf051373s . [all data]

Georgiou, Koutsaviti, et al., 2010
Georgiou, C.; Koutsaviti, A.; Bazos, I.; Tzakou, O., Chemical composition of Echinophora tenuifolia subsp. sibthorpiana essential oil from Greece, Rec. Nat. Prod., 2010, 4, 3, 167-170. [all data]

Figueiredo, Miguel, et al., 2001
Figueiredo, A.C.; Miguel, M.G.; Duarte, A.M.F.; Barroso, J.G.; Pedro, L.G., Essential oil composition of Thymus lotocephallus G. López R. Morales, collected during flowering and vegetative phases, Flavour Fragr. J., 2001, 16, 6, 417-421, https://doi.org/10.1002/ffj.1028 . [all data]

Kéita, Vincent, et al., 2000
Kéita, S.M.; Vincent, C.; Schmit, J.-P.; Bélanger, A., Essential oil composition of Ocimum basilicum L., O. gratissimum L. and O. suave L. in the Republic of Guinea, Flavour Fragr. J., 2000, 15, 5, 339-341, https://doi.org/10.1002/1099-1026(200009/10)15:5<339::AID-FFJ922>3.0.CO;2-H . [all data]

Njoroge, Koaze, et al., 2005, 2
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M., Essential oil constituents of three varieties of Kenyan sweet oranges (Citrus sinensis), Flavour Fragr. J., 2005, 20, 1, 80-85, https://doi.org/10.1002/ffj.1377 . [all data]

Viljoen, Subramoney, et al., 2005
Viljoen, A.M.; Subramoney, S.; van Vuuren, S.F.; Baser, K.H.C.; Demirci, B., The composition, geographical variation and antimicrobial activity of Lippia javanica (Verbenaceae) leaf essential oils, J. Ethnopharmacol., 2005, 96, 1-2, 271-277, https://doi.org/10.1016/j.jep.2004.09.017 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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