Isopiperitone

Formula: C₁₀H₁₆O
Molecular weight: 152.2334
IUPAC Standard InChI: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3
IUPAC Standard InChIKey: YSTPAHQEHQSRJD-UHFFFAOYSA-N
CAS Registry Number: 58615-39-7
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-
Stereoisomers:
- 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (S)-
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Gas Chromatography

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

Kovats' RI, non-polar column, custom temperature program

Column type	Active phase	I	Reference	Comment
Capillary	BP-1	1234.	Dwivedi, Khan, et al., 2004	25. m/0.25 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min)

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1841.	Choi, 2003	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	1838.	Choi and Sawamura, 2000	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, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	SPB-1	1246.	Díaz-Maroto, Castillo, et al., 2007	50. m/0.25 mm/0.25 μm; Program: 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min)
Capillary	SPB-1	1246.	Díaz-Maroto, Castillo, et al., 2007	50. m/0.25 mm/0.25 μm; Program: 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1838.	Choi, 2004	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	CP-Wax 52CB	1795.	Chagonda, Makanda, et al., 2000	50. m/0.30 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; T_end: 220. C

References

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Dwivedi, Khan, et al., 2004
Dwivedi, S.; Khan, M.; Srivastava, S.K.; Syamasunnder, K.V.; Srivastava, A., Essential oil composition of different accessions of Mentha × piperita L. grown on the northern plains of India, Flavour Fragr. J., 2004, 19, 5, 437-440, https://doi.org/10.1002/ffj.1333 . [all data]

Choi, 2003
Choi, H.-S., Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil, J. Agric. Food Chem., 2003, 51, 9, 2687-2692, https://doi.org/10.1021/jf021069o . [all data]

Choi and Sawamura, 2000
Choi, H.-S.; Sawamura, M., Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu), J. Agric. Food Chem., 2000, 48, 10, 4868-4873, https://doi.org/10.1021/jf000651e . [all data]

Díaz-Maroto, Castillo, et al., 2007
Díaz-Maroto, M.C.; Castillo, N.; Castro-Vázquez, L.; González-Viñas, M.A.; Pérez-Coello, M.S., Volatile composition and olfactory profile of pennyroyal (Mentha pulegium L.) plants, Flavour Fragr. J., 2007, 22, 2, 114-118, https://doi.org/10.1002/ffj.1766 . [all data]

Choi, 2004
Choi, H.-S., Volatile constituents of satsuma mandarins growing in Korea, Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283 . [all data]

Chagonda, Makanda, et al., 2000
Chagonda, L.S.; Makanda, C.; Chalchat, J.-C., The essential oils of wild and cultivated Cymbopogon validus (Stapf) Stapf ex Burtt Davy and Elionurus muticus (Spreng.) Kunth from Zimbabwe, Flavour Fragr. J., 2000, 15, 2, 100-104, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<100::AID-FFJ874>3.0.CO;2-Y . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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