3-Heptanone, 6-methyl-
- Formula: C8H16O
- Molecular weight: 128.2120
- IUPAC Standard InChI: InChI=1S/C8H16O/c1-4-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
- IUPAC Standard InChIKey: CCCIYAQYQZQDIZ-UHFFFAOYSA-N
- CAS Registry Number: 624-42-0
- 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: Ethyl isoamyl ketone; 2-Methyl-5-heptanone; 6-Methyl-3-heptanone; 6-Methylheptan-3-one
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Gas Chromatography
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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
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1263. | Whitfield, Shea, et al., 1981 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | AT-5 | 941. | Usai, Atzei, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 50 0C 5 0C/min -> 135 0C (1 min) 5 0C/min -> 225 0C (5 min) 5 0C/min -> 260 0C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Wax 52CB | 1231. | Hwan and Chou, 1999 | 50. m/0.32 mm/0.22 μm, H2, 60. C @ 4. min, 2. K/min, 190. C @ 21. min |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Whitfield, Shea, et al., 1981
Whitfield, F.B.; Shea, S.R.; Gillen, K.J.; Shaw, K.J.,
Volatile components from the roots of Acacia pulchella R.Br. and their effect on Phytophthora cinnamomi rands,
Aust. J. Bot., 1981, 29, 2, 195-208, https://doi.org/10.1071/BT9810195
. [all data]
Usai, Atzei, et al., 2003
Usai, M.; Atzei, A.; Pintore, G.; Casanova, I.,
Composition and variability of the essential oil of Sardinian Thymus herba-barona Loisel,
Flavour Fragr. J., 2003, 18, 1, 21-25, https://doi.org/10.1002/ffj.1137
. [all data]
Hwan and Chou, 1999
Hwan, C.-H.; Chou, C.-C.,
Volatile components of the Chinese fermented soya bean curd as affected by the addition of ethanol in ageing solution,
J. Sci. Food Agric., 1999, 79, 2, 243-248, https://doi.org/10.1002/(SICI)1097-0010(199902)79:2<243::AID-JSFA179>3.0.CO;2-I
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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