5-Hepten-2-one, 6-methyl-
- Formula: C8H14O
- Molecular weight: 126.1962
- IUPAC Standard InChI: InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
- IUPAC Standard InChIKey: UHEPJGULSIKKTP-UHFFFAOYSA-N
- CAS Registry Number: 110-93-0
- 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. - Other names: 6-Methyl-5-heptene-2-one; 6-Methyl-5-hepten-2-one; 2-Methyl-2-hepten-6-one; 6-Methyl hept-5-en-2-one; Sulcatone; NSC 15294; Prenylacetone; 129085-68-3; Methyl heptenone; 2-methyl-6-heptenone; methyl-5-hepten-2-one; 2-methylhept-2-en-6-one; 6-Methyl hept-5-ene-2-one; (E)-6-methylhept-5-en-2-one; 6-methyI-5-hepten-2-one
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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Normal alkane RI, polar column, custom temperature program
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelco CO Wax-10 | Supelco CO Wax-10 | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 60. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min) | not specified | not specified | not specified | not specified |
| I | 1348. | 1347. | 1332. | 1338. | 1339. |
| Reference | Prompona, Kandylis, et al., 2012 | Prompona, Kandylis, et al., 2012 | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | SOLGel-Wax | SOLGel-Wax | DB-Wax | HP-Innowax |
| Column length (m) | 60. | 30. | 30. | 60. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.50 | 0.50 |
| Program | not specified | 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min) | not specified | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | 50 0C (5 min) 3 0C/min -> 210 0C (10 min) 3 0C/min -> 230 0C |
| I | 1346. | 1351. | 1340. | 1316. | 1328. |
| Reference | Feng, Zhuang, et al., 2011 | Johanningsmeier and McFeeters, 2011 | Johanningsmeier and McFeeters, 2011 | Miyazaki, Plotto, et al., 2011 | Sun, Hua, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax FSC | DB-FFAP | DB-FFAP | DB-Wax | CP-Wax 52 CB |
| Column length (m) | 60. | 30. | 30. | 30. | 60. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C | 50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C | not specified | not specified | 45 0C (5 min) 3 0C/min -> 150 0C 10 0C/min -> 240 0C |
| I | 1348. | 1320. | 1320. | 1322. | 1339. |
| Reference | Baser, Demirci, et al., 2009 | Mebazaa, Mahmoudi, et al., 2009 | Mebazaa, Mahmoudi, et al., 2009 | Rochat, Egger, et al., 2009 | Romeo, Verzera, et al., 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | CP-Wax 52 CB | Carbowax 20M | Innowax FSC | Supelcowax-10 |
| Column length (m) | 30. | 50. | 60. | 30. | |
| Carrier gas | Helium | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.50 | 0.29 | 0.25 | 0.25 | |
| Program | 40 0C 7 0C/min -> 110 0C 15 0C/min -> 250 0C (3 min) | 33 0C (1 min) 2 0C/min -> 130 0C 10 0C/min -> 220 0C | not specified | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min) |
| I | 1348. | 1321. | 1321. | 1348. | 1347. |
| Reference | Valappil, Fan, et al., 2009 | Kaack and Christensen, 2008 | Dury-Brun, Fournier, et al., 2007 | Tabanca, Demirci, et al., 2007 | Vichi, Guadayol, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax FSC | HP-Innowax FSC | Carbowax 20M | Carbowax 20M | DB-Wax |
| Column length (m) | 60. | 60. | 60. | ||
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Program | 60C(10min) => 4C/min >220C (10min) => 1C/min => 240C | 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified | not specified | 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min) |
| I | 1352. | 1348. | 1324. | 1335. | 1343. |
| Reference | Baser, Özek, et al., 2006 | Suleimenov Y.M., Atazhanova G.A., et al., 2006 | Editorial paper, 2005 | Editorial paper, 2005 | Mattheis, Fan, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax FSC | HP Innowax FSP | Innowax FSC | HP-Innowax FSC | Carbowax 20M |
| Column length (m) | 60. | 60. | 60. | 60. | |
| Carrier gas | He | N2 | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified |
| I | 1348. | 1348. | 1348. | 1348. | 1337. |
| Reference | Tabanca, Demirci, et al., 2005 | Altintas, Kose, et al., 2004 | Baser, Özek, et al., 2004 | Demirci, Paper, et al., 2004 | Vinogradov, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax FSC | PEG-20M | HP Innowax FSP | HP Innowax FSP | HP-Innowax |
| Column length (m) | 60. | 30. | 60. | 60. | 60. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C | 50C(8min) => 4C/min => 110C => 16C/min => 200C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| I | 1348. | 1325. | 1348. | 1348. | 1348. |
| Reference | Demirci, Baser, et al., 2003 | Garruti, Franco, et al., 2003 | Tasdemir, Demirci, et al., 2003 | Tasdemir, Demirci, et al., 2003 | Viljoen, van Vuuren, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax | HP-Innowax | HP-Innowax | Innowax FSC | HP-Innowax |
| Column length (m) | 60. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60 0C (10 min) 10 K/min -> 220 0C (10 min) 1K/min -> 240 0C | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| I | 1348. | 1348. | 1348. | 1348. | 1348. |
| Reference | Baser, Nuriddinov, et al., 2002 | Baser, Demirci, et al., 2001 | Gören, Demirci, et al., 2001 | Saglam, Gozler, et al., 2001 | Tabanca, Kirimer, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax | Innowax | DB-Wax | Innowax | CP-Wax 52CB |
| Column length (m) | 60. | 60. | 60. | 60. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.2 |
| Program | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 50C(6min) => 1C/min => 130C => 10C/min => 240C (15min) | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min) |
| I | 1348. | 1348. | 1346. | 1348. | 1338. |
| Reference | Baser, Özek, et al., 2000 | Baser, Özek, et al., 2000, 2 | Piveteau, le Guen, et al., 2000 | Baser, Kürkcüoglu, et al., 1998 | Jakobsen, Hansen, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Supelcowax 10 | Supelcowax 10 | Supelcowax 10 |
| Column length (m) | 60. | 60. | 60. | 60. | 60. |
| Carrier gas | N2 | He | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | not specified | 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C(40min) | 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) | not specified | not specified |
| I | 1346. | 1345. | 1328. | 1328. | 1340. |
| Reference | Weyerstahl, Marschall, et al., 1998 | Ziegleder, 1998 | Castioni and Kapetanidis, 1996 | Castioni and Kapetanidis, 1996 | Castioni and Kapetanidis, 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax 52CB | DB-Wax | DB-Wax | Superox 0.6; Carbowax 20M | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. |
| Column length (m) | 50. | 60. | 60. | 50. | 50. |
| Carrier gas | He | He | Hydrogen | Hydrogen | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 1.5 | 0.25 | 0.25 | ||
| Program | 40C => 2C/min => 150C => 10C/min => 250C | 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) | 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) | not specified | not specified |
| I | 1327. | 1333. | 1333. | 1314. | 1314. |
| Reference | Luning, de Rijk, et al., 1994 | Mattheis, Buchanan, et al., 1992 | Mattheis, Buchanan, et al., 1992 | Waggott and Davies, 1984 | Waggott and Davies, 1984 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Prompona, Kandylis, et al., 2012
Prompona, K.-D.; Kandylis, P.; Tsakiris, A.; Kanellaki, M.; Kourkoutas, Y.,
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Baser, Nuriddinov, et al., 2002
Baser, K.H.C.; Nuriddinov, H.R.; Ozek, T.; Demirci, A.B.; Azcan, N.; Nigmatullaev, A.M.,
Essential oil of Arischrada korolkowii from the Chatkal mountains of Uzbekistan,
Chem. Nat. Compd. (Engl. Transl.), 2002, 38, 1, 51-53, https://doi.org/10.1023/A:1015729731464
. [all data]
Baser, Demirci, et al., 2001
Baser, K.H.C.; Demirci, B.; Tabanca, N.; Özek, T.; Gören, N.,
Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. fil.) Grierson and the enantiomeric distribution of camphor and carvone,
Flavour Fragr. J., 2001, 16, 3, 195-200, https://doi.org/10.1002/ffj.977
. [all data]
Gören, Demirci, et al., 2001
Gören, N.; Demirci, B.; Baser, K.H.C.,
Composition of the essential oils of Tanacetum spp. from Turkey,
Flavour Fragr. J., 2001, 16, 3, 191-194, https://doi.org/10.1002/ffj.976
. [all data]
Saglam, Gozler, et al., 2001
Saglam, H.; Gozler, T.; Kivcak, B.; Demirci, B.; Baser, K.H.C.,
Volatile compounds from Haplophyllum myrtifolium,
Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 5, 442-444, https://doi.org/10.1023/A:1014467225815
. [all data]
Tabanca, Kirimer, et al., 2001
Tabanca, N.; Kirimer, N.; Demirci, B.; Demirci, F.; Can Baser, K.H.,
Composition and antimicrobial activity of the essential oils of Micromeria cristata subsp. phrygia and the enantiomeric distribution of borneol,
J. Agric. Food Chem., 2001, 49, 9, 4300-4303, https://doi.org/10.1021/jf0105034
. [all data]
Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H.,
Composition of the essential oil of Glaucosciadium cordifolium (Boiss.) Burtt et Davis from Turkey,
Flavour Fragr. J., 2000, 15, 1, 45-46, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<45::AID-FFJ867>3.0.CO;2-L
. [all data]
Baser, Özek, et al., 2000, 2
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H.,
Composition of the essential oil of Prangos heyniae H. Duman et M. F. Watson, a new endemic from Turkey,
Flavour Fragr. J., 2000, 15, 1, 47-49, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<47::AID-FFJ869>3.0.CO;2-9
. [all data]
Piveteau, le Guen, et al., 2000
Piveteau, F.; le Guen, S.; Gandemer, G.; Baud, J.-P.; Demaimay, M.,
Aroma of fresh oysters Crassostrea gigas: composition and aroma notes,
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. [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]
Jakobsen, Hansen, et al., 1998
Jakobsen, H.B.; Hansen, M.; Christensen, M.R.; Brockhoff, P.B.; Olsen, C.E.,
Aroma volatiles of blanched green peas (Pisum sativum L.),
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. [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]
Ziegleder, 1998
Ziegleder, G.,
Volatile and odorous compounds in unprinted paperboard,
Packag. Technol. Sci., 1998, 11, 5, 231-239, https://doi.org/10.1002/(SICI)1099-1522(1998090)11:5<231::AID-PTS437>3.0.CO;2-A
. [all data]
Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I.,
Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS,
Scientia Pharmaceutica, 1996, 64, 83-91. [all data]
Luning, de Rijk, et al., 1994
Luning, P.A.; de Rijk, T.; Wichers, H.J.; Roozen, J.P.,
Gas chromatography, mass spectrometry, and sniffing port analyses of volatile compounds of fresh bell peppers (Capsicum annuum) at different ripening stages,
J. Agric. Food Chem., 1994, 42, 4, 977-983, https://doi.org/10.1021/jf00040a027
. [all data]
Mattheis, Buchanan, et al., 1992
Mattheis, J.P.; Buchanan, D.A.; Fellman, J.K.,
Volatile compounds emitted by sweet cherries (Prunus avium Cv. Bing) during fruit development and ripening,
J. Agric. Food Chem., 1992, 40, 3, 471-474, https://doi.org/10.1021/jf00015a022
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
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