4-Isopropyl-6-methyl-1-tetralone

Formula: C₁₄H₁₈O
Molecular weight: 202.2921
IUPAC Standard InChI: InChI=1S/C14H18O/c1-9(2)11-6-7-14(15)12-5-4-10(3)8-13(11)12/h4-5,8-9,11H,6-7H2,1-3H3
IUPAC Standard InChIKey: KIZXBPVAPQXAMH-UHFFFAOYSA-N
CAS Registry Number: 57494-10-7
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- 10-Nor-calamenen-10-one
Other names: 4-Isopropyl-6-methyl-3,4-dihydronaphthalen-1(2H)-one; 3,4-Dihydro-6-methyl-4-(1-methylethyl)-1(2H)-naphthalenone; 4-Isopropyl-6-methyl-1,2,3,4-tetrahydronaphthalen-1-one; 10-nor-Calamenen-10-one
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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	HP-5	1705.	de Marchese, de Heluani, et al., 2007	He; Program: 60C(5min) => 3C/min => 100C => 1C/min => 160C => 10C/min => 240C(10min)

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5 MS	1700.	Noudogbessi, Yedomonhan, et al., 2008	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 300. C @ 5. min
Capillary	DB-1	1700.	Velasco-Negueruela, Pérez-Alonso, et al., 2006	50. m/0.25 mm/0.25 μm, N2, 4. K/min; T_start: 90. C; T_end: 240. C
Capillary	DB-5	1707.	Chaverri and Cicció, 2005	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 5 CB	1684.	Weyerstahl, Marschall, et al., 1999	He; Column length: 25. m; Column diameter: 0.39 mm; Program: not specified
Capillary	CP Sil 5 CB	1671.	Weyerstahl, Marschall, et al., 1998	He; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified
Capillary	CP Sil 5 CB	1678.	Weyerstahl, Marschall, et al., 1998, 2	N2; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP Innowax FSP	2419.	Kaya, Baser, et al., 1999	60. m/0.25 mm/0.25 μm, He, 60. C @ 10. min, 220. C @ 10. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-Innowax FSC	2419.	Sezik E., Kocakulak E., et al., 2005	60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
Capillary	HP-Innowax FSC	2419.	Demirci, Baser, et al., 2003	60. m/0.25 mm/0.25 μm, He; Program: 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C
Capillary	Innowax FSC	2419.	Baser, Demirei, et al., 2002	60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
Capillary	HP-Innowax FSC	2419.	Kirimer N., Tabanea N., et al., 2001	60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
Capillary	Innowax	2419.	Baser, Kürkcüoglu, et al., 1998	60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
Capillary	DB-Wax	2410.	Weyerstahl, Marschall, et al., 1998	N2; Column length: 60. m; Phase thickness: 0.25 μm; Program: not specified
Capillary	DB-Wax	2407.	Weyerstahl, Marschall, et al., 1998, 2	N2; Column length: 60. m; Phase thickness: 0.25 μm; Program: not specified

References

Go To: Top, Gas Chromatography, Notes

de Marchese, de Heluani, et al., 2007
de Marchese, M.J.A.; de Heluani, C.S.; Catalán, C.A.N.; Griffin, C.A.; Vaughn, J.B., Jr.; Herz, W., Incisol, an alcohol with a novel sesquiterpene skeleton from Xenophyllum incisum, Biochem. Syst. Ecol., 2007, 35, 3, 169-175, https://doi.org/10.1016/j.bse.2006.10.006 . [all data]

Noudogbessi, Yedomonhan, et al., 2008
Noudogbessi, J.-P.; Yedomonhan, P.; Sohounhloue, D.C.K.; Chalchat, J.-C.; Figueredo, G., Chemical composition of essential oil of syzygium guineense (Willd.) DC. var. guineense (Myrtaceae) from Benin, Rec. Nat. Prod., 2008, 33-38. [all data]

Velasco-Negueruela, Pérez-Alonso, et al., 2006
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J., Analysis by gas chromatography?mass spectrometry of the volatiles from the fruits of Ammodaucus leucotrichus subsp. leucotrichus and subsp. nanocarpus grown in North Africa and the Canary Islands, respectively, J. Chromatogr. A, 2006, 1108, 2, 273-275, https://doi.org/10.1016/j.chroma.2006.01.031 . [all data]

Chaverri and Cicció, 2005
Chaverri, C.; Cicció, J.F., Essential oil of trees of the genus Ocotea (Lauraceae) in Costa Rica. I. Ocotea brenesii, Rev. Biol. Trop., 2005, 53, 3-4, 431-436, https://doi.org/10.15517/rbt.v53i3-4.14611 . [all data]

Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Son, P.T.; Giang, P.M., Constituents of the flower essential oil of Aglaia odorata Lour. from Vietnam, Flavour Fragr. J., 1999, 14, 4, 219-224, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<219::AID-FFJ815>3.0.CO;2-# . [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]

Weyerstahl, Marschall, et al., 1998, 2
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Subba, G.C., Constituents of the essential oil from the rhizomes of Hedychium gardnerianum Roscoe, Flavour Fragr. J., 1998, 13, 6, 377-388, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<377::AID-FFJ755>3.0.CO;2-F . [all data]

Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Koca, F., Essential oils of Acinos troodi (Post) Leblebici subsp. vardaranus Leblebici and subsp. grandiflorus Hartvig Strid, Flavour Fragr. J., 1999, 14, 1, 50-54, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<50::AID-FFJ783>3.0.CO;2-7 . [all data]

Sezik E., Kocakulak E., et al., 2005
Sezik E.; Kocakulak E.; Baser K.H.C.; Ozek T., Composition of the essential oils of Juniperus oxycedrus subsp macrocarpa from Turkey, Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 3, 352-354, https://doi.org/10.1007/s10600-005-0149-0 . [all data]

Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z., Composition of the essential oils of six endemic Salvia spp. from Turkey, Flavour Fragr. J., 2003, 18, 2, 116-121, https://doi.org/10.1002/ffj.1173 . [all data]

Baser, Demirei, et al., 2002
Baser, K.H.C.; Demirei, B.; Özek, T.; Akalin, E.; Özhatay, N., Micro-distilled volatile compounds from Ferulago species growing in Western Turkey, Pharm. Biol., 2002, 40, 6, 466-471, https://doi.org/10.1076/phbi.40.6.466.8439 . [all data]

Kirimer N., Tabanea N., et al., 2001
Kirimer N.; Tabanea N.; Demirci B.; Baser K.H.C.; Duman H.; Aytac Z., The essential oil of a new Sideritis species: Sideritis ozturkii Aytac and Aksoy, Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 3, 234-237, https://doi.org/10.1023/A:1012561806033 . [all data]

Baser, Kürkcüoglu, et al., 1998
Baser, K.H.C.; Kürkcüoglu, M.; Aytac, Z., Composition of the essential oil of Salvia euphratica Montbret ex Bentham var. euphratica from Turkey, Flavour Fragr. J., 1998, 13, 1, 63-64, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<63::AID-FFJ694>3.0.CO;2-Z . [all data]

Notes

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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