cis-Isopulegone

Formula: C₁₀H₁₆O
Molecular weight: 152.2334
IUPAC Standard InChI: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
IUPAC Standard InChIKey: RMIANEGNSBUGDJ-RKDXNWHRSA-N
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Stereoisomers:
- Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans-
- Cyclohexanone, 5-methyl-2-(1-methylethenyl)-
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Gas Chromatography

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

Column type	Active phase	I	Reference	Comment
Capillary	BP-1	1159.	Castilho, Liu, et al., 2007	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C

Column type	Active phase	I	Reference	Comment
Capillary	BP-20	1587.	Castilho, Liu, et al., 2007	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C
Capillary	Supelcowax	1587.	Bassole, Ouattara, et al., 2003	30. m/0.25 mm/0.25 μm, He, 2. K/min, 240. C @ 10. min; T_start: 40. C

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1173.	Slavkovska, Couladis, et al., 2005	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 280. C

Column type	Active phase	I	Reference	Comment
Capillary	HP-Innowax	1583.	Kaya, Baser, et al., 1999	60. m/0.25 mm/0.25 μm, He, 60. C @ 10. min; T_end: 220. C
Capillary	HP-Innowax FSC	1583.	Baser, Kirimer, et al., 1997	He, 60. C @ 10. min, 4. K/min, 240. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm

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Castilho, Liu, et al., 2007
Castilho, P.; Liu, K.; Rodrigues, A.I.; Feio, S.; Tomi, F.; Casanova, J., Composition and antimicrobial activity of the essential oil of Clinopodium ascendens (Jordan) Sampaio from Madeira, Flavour Fragr. J., 2007, 22, 2, 139-144, https://doi.org/10.1002/ffj.1771 . [all data]

Bassole, Ouattara, et al., 2003
Bassole, I.H.N.; Ouattara, A.S.; Nebie, R.; Ouattara, C.A.T.; Kabore, Z.I.; Traore, S.A., Chemical composition and antibacterial activities of the essential oils of Lippia chevalieri and Lippia multiflora from Burkina Faso, Phytochemistry, 2003, 62, 2, 209-212, https://doi.org/10.1016/S0031-9422(02)00477-6 . [all data]

Slavkovska, Couladis, et al., 2005
Slavkovska, V.; Couladis, M.; Bojovic, S.; Tzakou, O.; Pavlovic, M.; Lakusic, B.; Jancic, R., Essential oil and its systematic significance in species of Micromeria Bentham from Serbia Montenegro, Plant Systematics and Evolution, 2005, 255, 1-2, 1-15, https://doi.org/10.1007/s00606-005-0303-y . [all data]

Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Tümen, G.; Koca, F., The essential oil of Acinos suaveolens (Sm.) G. Don fil. Acinos arvensis (Lam.) Dandy and Acinos rotundifolius Pers. growing wild in Turkey, Flavour Fragr. J., 1999, 14, 1, 60-64, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<60::AID-FFJ785>3.0.CO;2-0 . [all data]

Baser, Kirimer, et al., 1997
Baser, K.H.C.; Kirimer, N.; Duman, H., Composition of the essential oil of Micromeria dolichodontha P. H. Davis, Flavour Fragr. J., 1997, 12, 4, 289-291, https://doi.org/10.1002/(SICI)1099-1026(199707)12:4<289::AID-FFJ640>3.0.CO;2-A . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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