3-Octanone
- Formula: C8H16O
- Molecular weight: 128.2120
- IUPAC Standard InChIKey: RHLVCLIPMVJYKS-UHFFFAOYSA-N
- CAS Registry Number: 106-68-3
- 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: n-Octanone-3; Amyl ethyl ketone; Ethyl amyl ketone; Ethyl n-amyl ketone; Ethyl pentyl ketone; EAK; Octan-3-one; Ethyl n-pentyl ketone; 3-Oxooctane; NSC 60161; 3-octanonere
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Normal alkane RI, non-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 | Optima-5 MS | DB-1 | VF-5 MS | VF-5 MS | HP-5 MS |
Column length (m) | 30. | 30. | 60. | 60. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 35. | 40. | 30. | 30. | 40. |
Tend (C) | 250. | 210. | 260. | 260. | 260. |
Heat rate (K/min) | 10. | 5. | 2. | 2. | 4. |
Initial hold (min) | 3. | ||||
Final hold (min) | 5. | 28. | 28. | 5. | |
I | 983. | 988. | 989. | 990. | 988. |
Reference | Goeminne, Vandendriessche, et al., 2012 | Fathi, Sahari, et al., 2011 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Miyazawa, Marumoto, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | DB-1 | HP-5 MS | DB-5 | HP-5 MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
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 |
Tstart (C) | 70. | 50. | 60. | 45. | 60. |
Tend (C) | 290. | 220. | 250. | 250. | 250. |
Heat rate (K/min) | 5. | 4. | 2. | 3. | 2. |
Initial hold (min) | 2. | 8. | 3. | 8. | |
Final hold (min) | 10. | 2. | 15. | 5. | 15. |
I | 982. | 964. | 987. | 992. | 983. |
Reference | Radulovic, Dordevic, et al., 2010 | Xu, Tang, et al., 2010 | Farhat, Ginies, et al., 2009 | Porto, Decorti, et al., 2009 | Sahraoui, Vian, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | RTX-5 | DB-1 | RTX-5 | HP-5 MS |
Column length (m) | 30. | 60. | 60. | 10. | 30. |
Carrier gas | Helium | He | He | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.18 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.2 | 0.25 |
Tstart (C) | 50. | 40. | 60. | 40. | 60. |
Tend (C) | 250. | 205. | 250. | 275. | 280. |
Heat rate (K/min) | 6.5 | 4. | 5. | 50. | 3. |
Initial hold (min) | 1.5 | 5. | 0.5 | ||
Final hold (min) | 10. | 5. | 0.5 | ||
I | 990. | 986. | 963. | 989. | 984. |
Reference | Thakeow, Angeli, et al., 2008 | Berdague, Tournayre, et al., 2007 | Salehi, Fakhari, et al., 2007 | Setkova, Risticevic, et al., 2007 | Vagionas, Graikou, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | HP-5 | HP-5 | ZB-5 | BPX5 |
Column length (m) | 60. | 30. | 30. | 30. | 25. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.20 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.13 |
Tstart (C) | 40. | 50. | 40. | 40. | 50. |
Tend (C) | 230. | 300. | 220. | 300. | 230. |
Heat rate (K/min) | 3. | 5. | 4. | 2. | 3. |
Initial hold (min) | 5. | 5. | 5. | 2. | |
Final hold (min) | 5. | 5. | 10. | ||
I | 987. | 987. | 990. | 985. | 979. |
Reference | Vasta, Ratel, et al., 2007 | Figuérédo, Cabassu, et al., 2006 | Jiménez, Aguilera, et al., 2006 | Sari M., Biondi D.M., et al., 2006 | Boustie, Rapior, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | DB-5 | DB-5 | HP-5MS |
Column length (m) | 50. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.3 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 40. | 60. | 60. |
Tend (C) | 240. | 250. | 280. | 220. | 280. |
Heat rate (K/min) | 2. | 5. | 8. | 4. | 4. |
Initial hold (min) | 5. | ||||
Final hold (min) | |||||
I | 990. | 966. | 977. | 984. | 983. |
Reference | Chagonda and Chalchat, 2005 | Fakhari, Salehi, et al., 2005 | Jelén, Krawczyk, et al., 2005 | Morteza-Semnani, Akbarzadeh, et al., 2005 | Sajjadi, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PE-5 | DB-5 | HP-5MS | HP-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | H2 | He | He | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 50. | 40. | 40. |
Tend (C) | 230. | 230. | 240. | 250. | 280. |
Heat rate (K/min) | 5. | 3. | 3. | 5. | 4. |
Initial hold (min) | 2. | 3. | 2. | 4. | |
Final hold (min) | 4. | 20. | 5. | ||
I | 988. | 984. | 976. | 970. | 983. |
Reference | Singh, Raina, et al., 2005 | Skoula and Grayer, 2005 | Tepe B., Sokmen M., et al., 2005 | N/A | Kalvandi, Sefidkon, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | HP-5 | HP-5 | RSL-200 |
Column length (m) | 30. | 30. | 25. | 25. | 30. |
Carrier gas | He | He | H2 | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.53 | 0.53 | 0.25 |
Tstart (C) | 60. | 60. | 40. | 40. | 40. |
Tend (C) | 275. | 280. | 280. | 280. | 280. |
Heat rate (K/min) | 4. | 3. | 4. | 4. | 6. |
Initial hold (min) | 2. | ||||
Final hold (min) | 10. | ||||
I | 984. | 966. | 980. | 984. | 965. |
Reference | Ghannadi and Zolfaghari, 2003 | Pitarokili, Tzakou, et al., 2003 | Velickovic, Randjelovic, et al., 2003 | Velickovic, Randjelovic, et al., 2003 | Jirovetz, Smith, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SPB-5 | DB-5 | BP-1 | HP-5 |
Column length (m) | 30. | 60. | 30. | 25. | 30. |
Carrier gas | He | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.33 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 1.0 | 0.25 | |
Tstart (C) | 60. | 40. | 60. | 60. | 60. |
Tend (C) | 240. | 220. | 240. | 275. | 275. |
Heat rate (K/min) | 3. | 3. | 3. | 4. | 4. |
Initial hold (min) | 5. | ||||
Final hold (min) | 15. | ||||
I | 987. | 986. | 984. | 987. | 986. |
Reference | Kobaisy, Tellez, et al., 2002 | Cornu, Carnat, et al., 2001 | Maia, Zoghbi, et al., 2000 | Mohagheghzadeh, Shams-Ardakani, et al., 2000 | Mohagheghzadeh, Shams-Ardakani, et al., 2000, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | DB-1 | HP-5 | HP-5 |
Column length (m) | 30. | 60. | 30. | ||
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.2 | ||
Phase thickness (μm) | 0.25 | 0.25 | |||
Tstart (C) | 60. | 60. | 50. | 35. | 35. |
Tend (C) | 240. | 230. | 200. | 200. | 200. |
Heat rate (K/min) | 3. | 3. | 4. | 6. | 6. |
Initial hold (min) | 2. | 2. | 2. | ||
Final hold (min) | 5. | ||||
I | 987. | 970. | 965. | 988. | 988. |
Reference | Tellez, Dayan, et al., 2000 | Shafiee, Javidnia, et al., 1999 | Rapior, Breheret, et al., 1997 | Larsen and Frisvad, 1995 | Larsen and Frisvad, 1995, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Cross-Linked Methylsilicone | DB-5 | OV-101 | DB-1 | OV-1 |
Column length (m) | 25. | 60. | 50. | 60. | 50. |
Carrier gas | He | He | Nitrogen | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.20 |
Phase thickness (μm) | 0.20 | ||||
Tstart (C) | 35. | 40. | 80. | 50. | 30. |
Tend (C) | 225. | 160. | 200. | 250. | 220. |
Heat rate (K/min) | 4. | 2. | 2. | 4. | 2. |
Initial hold (min) | 3. | 5. | 0.1 | ||
Final hold (min) | 5. | ||||
I | 962. | 990. | 966. | 964. | 973. |
Reference | Bravo and Hotchkiss, 1993 | Macku and Shibamoto, 1991 | Tamura, Kihara, et al., 1990 | Binder and Flath, 1989 | de Pooter, Nicolai, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | OV-101 |
Column length (m) | 50. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.31 |
Phase thickness (μm) | |
Tstart (C) | 0. |
Tend (C) | 225. |
Heat rate (K/min) | 3. |
Initial hold (min) | 1. |
Final hold (min) | |
I | 964. |
Reference | del Rosario, de Lumen, et al., 1984 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Goeminne, Vandendriessche, et al., 2012
Goeminne, P.C.; Vandendriessche, T.; Van Eldere, J.; Nicolai, B.M.; Hertog, M.L.; Dupont, L.J.,
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Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
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Miyazawa, Marumoto, et al., 2011
Miyazawa, M.; Marumoto, S.; Kobayashi, T.; Yoshida, S.; Utsumi, Y.,
Determination of characteristic components in essential oils from Wisteria braphybotrys using gas chromatography - olfactometry incremental dilution technique,
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Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
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Chagonda, L.S.; Chalchat, J.-C.,
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Skoula and Grayer, 2005
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Volatile oils of Coridothymus capitatus, Satureja thymbra, Satureja spinosa and Thymbra calostachya (Lamiaceae) from Crete,
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Kalvandi, Sefidkon, et al., 2004
Kalvandi, R.; Sefidkon, F.; Atri, M.; Mirza, M.,
Analysis of the essential oil of Thymus eriocalyx from Iran,
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Ghannadi and Zolfaghari, 2003
Ghannadi, A.; Zolfaghari, B.,
Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran,
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Pitarokili, Tzakou, et al., 2003
Pitarokili, D.; Tzakou, O.; Loukis, A.; Harvala, C.,
Volatile metabolites from Salvia fruticosa as antifungal agents in soilborne pathogens,
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Velickovic, Randjelovic, et al., 2003
Velickovic, D.T.; Randjelovic, N.V.; Ristic, M.S.; Velickovic, A.S.; Smelcerovic, A.A.,
Chemical constituents and antimicrobial activity of the ethanol extracts obtained from the flower, leaf, and stem of Salvia officinalis L.,
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Jirovetz, Smith, et al., 2002
Jirovetz, L.; Smith, D.; Buchbauer, G.,
Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry,
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Kobaisy, Tellez, et al., 2002
Kobaisy, M.; Tellez, M.R.; Dayan, F.E.; Duke, S.O.,
Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb.,
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Cornu, Carnat, et al., 2001
Cornu, A.; Carnat, A.-P.; Martin, B.; Coulon, J.-B.; Lamaison, J.-L.; Berdagué, J.-L.,
Solid-phase microextraction of volatile components from natural grassland plants,
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Maia, Zoghbi, et al., 2000
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Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
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