5-Hepten-2-one, 6-methyl-
- Formula: C8H14O
- Molecular weight: 126.1962
- 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
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Kovats' RI, polar column, temperature ramp
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 | Carbowax 20M | Supelcowax-10 | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 25. | 60. | 60. | 60. | 60. |
Carrier gas | N2 | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 60. | 35. | 40. | 40. | 40. |
Tend (C) | 200. | 200. | 200. | 200. | 200. |
Heat rate (K/min) | 5. | 3. | 3. | 3. | 3. |
Initial hold (min) | 5. | 5. | 5. | 5. | |
Final hold (min) | 20. | ||||
I | 1342. | 1340. | 1341. | 1342. | 1339. |
Reference | Mallavarapu, Rao, et al., 1998 | Wong and Tie, 1993 | Tatsuka, Suekane, et al., 1990 | Tatsuka, Suekane, et al., 1990 | Tatsuka, Suekane, et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 60. | 150. | 70. | 70. | 50. |
Carrier gas | He | N2 | N2 | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.64 | 0.28 | 0.28 | 0.28 |
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 40. | 50. | 80. | 80. | 70. |
Tend (C) | 200. | 170. | 200. | 200. | 190. |
Heat rate (K/min) | 3. | 1. | 2. | 2. | 2. |
Initial hold (min) | 5. | 30. | |||
Final hold (min) | |||||
I | 1341. | 1340. | 1318. | 1322. | 1332. |
Reference | Tatsuka, Suekane, et al., 1990 | Buttery, Ling, et al., 1982 | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1981 | Tressl, Friese, et al., 1978 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Carbowax 20M |
Column length (m) | 50. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.28 |
Phase thickness (μm) | |
Tstart (C) | 70. |
Tend (C) | 190. |
Heat rate (K/min) | 2. |
Initial hold (min) | |
Final hold (min) | |
I | 1330. |
Reference | Tressl, Friese, et al., 1978, 2 |
Comment | MSDC-RI |
References
Go To: Top, Kovats' RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mallavarapu, Rao, et al., 1998
Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K.,
Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.),
Flavour Fragr. J., 1998, 13, 3, 167-169, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<167::AID-FFJ719>3.0.CO;2-B
. [all data]
Wong and Tie, 1993
Wong, K.C.; Tie, D.Y.,
The Essential Oil of the Leaves of Murraya koenigii Spreng.,
J. Essent. Oil Res., 1993, 5, 4, 371-374, https://doi.org/10.1080/10412905.1993.9698245
. [all data]
Tatsuka, Suekane, et al., 1990
Tatsuka, K.; Suekane, S.; Sakai, Y.; Sumitani, H.,
Volatile constituents of kiwi fruit flowers: simultaneous distillation and extraction versus headspace sampling,
J. Agric. Food Chem., 1990, 38, 12, 2176-2180, https://doi.org/10.1021/jf00102a015
. [all data]
Buttery, Ling, et al., 1982
Buttery, R.G.; Ling, L.C.; Wellso, S.G.,
Oat leaf volatiles: possible insect attractants,
J. Agric. Food Chem., 1982, 30, 4, 791-792, https://doi.org/10.1021/jf00112a045
. [all data]
Yamaguchi and Shibamoto, 1981
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita),
J. Agric. Food Chem., 1981, 29, 2, 366-370, https://doi.org/10.1021/jf00104a035
. [all data]
Tressl, Friese, et al., 1978
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H.,
Gas chromatographic--mass spectrometric investigation of hop aroma constituents in beer,
J. Agric. Food Chem., 1978, 26, 6, 1422-1426, https://doi.org/10.1021/jf60220a037
. [all data]
Tressl, Friese, et al., 1978, 2
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H.,
Studies of the volatile composition of hops during storage,
J. Agric. Food Chem., 1978, 26, 6, 1426-1430, https://doi.org/10.1021/jf60220a036
. [all data]
Notes
Go To: Top, Kovats' RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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