1-Octen-3-one
- Formula: C8H14O
- Molecular weight: 126.1962
- IUPAC Standard InChIKey: KLTVSWGXIAYTHO-UHFFFAOYSA-N
- CAS Registry Number: 4312-99-6
- 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. - Species with the same structure:
- Other names: Vinyl amyl ketone; Pentyl vinyl ketone; Amyl vinyl ketone; 1-Octene-3-one; Oct-1-en-3-one; octen-3-one, 1
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-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 | VF-5 MS | DB-5 | DB-5 | DB-1 | SE-54 |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Hydrogen | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 1.00 | 0.50 | 0.25 | 0.25 |
Program | not specified | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) | not specified | 35 0C (2 min) 10 0C/min -> 50 0C (2 min) 6 0C/min -> 250 0C |
I | 977. | 988. | 975. | 980. | 980. |
Reference | Liu, Lu, et al., 2011 | Miyazaki, Plotto, et al., 2011 | San-Juan, Petka, et al., 2010 | Xu, Tang, et al., 2010 | Christlbauer and Schieberle, 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | HP-1 | SE-54 | DB-5 | DB-5 |
Column length (m) | 30. | 50. | 30. | 30. | |
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.20 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | |
Program | 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) | not specified | not specified | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) |
I | 975. | 952. | 981. | 980. | 976. |
Reference | Mancini, Arnold, et al., 2009 | Breme, Langle, et al., 2008 | Frauendorfer and Schieberle, 2008 | Buettner, 2007 | Buettner, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 MS | HP-5 | DB-5 | HP-5MS | 5 % Phenyl methyl siloxane |
Column length (m) | 30. | 50. | 30. | 30. | |
Carrier gas | Helium | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 1.05 | 0.25 | 0.75 | |
Program | 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) | 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min) | 40C(1min) => 7C/min => 110C => 5C/min => 180C => 10C/min => 240C(10min) | not specified | 50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min) |
I | 981. | 991. | 975. | 980. | 978. |
Reference | Cajka, Hajslova, et al., 2007 | Carrapiso and Garsia, 2007 | Greger and Schieberle, 2007 | Mallia, Escher, et al., 2007 | Beaulieu J.C. and Lea J.M., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | HP-1 | CP-Sil5 CB MS | DB-5 | SE-54 |
Column length (m) | 30. | 50. | 50. | 30. | 30. |
Carrier gas | Helium | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.52 | 1.2 | 0.25 | 0.25 |
Program | not specified | 40C => 2C/min => 130C => 4C/min => 250C (25min) | 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) | 35C (3min) => 6C/min => 160C => 30C/min => 240C(2min) | 40C (2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C(10min) |
I | 986. | 959. | 953. | 980. | 976. |
Reference | Blank, Lin, et al., 2006 | Senger-Emonnot, Rochard, et al., 2006 | Iraqi, Vermeulen, et al., 2005 | Lubran, Lawless, et al., 2005 | Buettner and Welle, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | SE-54 | SE-54 | SE-54 | HP-1 |
Column length (m) | 30. | 30. | 30. | 30. | 12. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.52 |
Program | 40C (2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C(10min) | 40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min) | 40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min) | 40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min) | 35C(3min) => 6C/min => 190C => 30C/min => 225C |
I | 976. | 976. | 976. | 976. | 956. |
Reference | Buettner and Welle, 2004 | Buettner, 2004 | Buettner, 2004 | Buettner, 2004 | Carpino, Mallia, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-1 | SE-54 | HP-5MS | DB-5 | DB-5 |
Column length (m) | 25. | 30. | 30. | 30. | 30. |
Carrier gas | He | H2 | |||
Substrate | |||||
Column diameter (mm) | 0.2 | 0.32 | 0.25 | 0.3 | 0.53 |
Phase thickness (μm) | 0.11 | 0.25 | 0.25 | 0.25 | 1.5 |
Program | 35C(3min) => 4C/min => 190C => 30C/min => 225C(3min) | 35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min) | 40C(5min) => 2C/min => 120C => 10C/min => 210C (30min) | 35C (1min) => 40C/min => 60C (5min) => 4C/min => 240C | -5C(1min) => 4C/min => 50C => 6C/min => 120C => 8C/min => 250C(2min) |
I | 956. | 977. | 983. | 964. | 972. |
Reference | Carpino, Mallia, et al., 2004, 2 | Buettner, Mestres, et al., 2003 | Martí, Mestres, et al., 2003 | Triqui and Bouchriti, 2003 | Bücking and Steinhart, 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | DB-5 | DB-5 | DB-5 | DB-5 |
Column length (m) | 60. | 30. | 30. | 30. | |
Carrier gas | He | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.20 | 0.20 | 0.25 | |
Phase thickness (μm) | 0.25 | 1.0 | 1.0 | 0.25 | |
Program | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 250C(15min) | not specified | not specified | not specified | 35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (10 min) |
I | 984. | 967. | 967. | 979. | 978. |
Reference | Landy, Boucon, et al., 2002 | Rapior, Breheret, et al., 2002 | Rapior, Breheret, et al., 2002 | Staples E.S., 2002 | Lin, Fay, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-5 | RTX-5 | RTX-5 | SE-54 | SE-54 |
Column length (m) | 30. | 30. | 25. | ||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.32 | 0.32 | ||
Phase thickness (μm) | 1.5 | 0.25 | 0.25 | ||
Program | 35 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 230 0C | not specified | not specified | 35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 230 0C | 35C(2min) => 50C/min => 60C(2min) => 4C/min => 230C |
I | 981. | 981. | 981. | 979. | 978. |
Reference | Masanetz and Grosch, 1998 | Masanetz, Guth, et al., 1998 | Masanetz, Guth, et al., 1998 | Reiners and Grosch, 1998 | Zehentbauer and Grosch, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | SE-54 | SE-54 | DB-5 | SE-54 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | 35C => 40C/min => 60C (1min) => 6C/min => 250C | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C | not specified | 0C (2min) => 6C/min => 50C (2min) => 6C/min => 230 C (10min) |
I | 963. | 980. | 980. | 980. | 979. |
Reference | Lizárraga-Guerra, Guth, et al., 1997 | Schermann and Schieberle, 1997 | Schermann and Schieberle, 1997 | Schieberle, 1996 | Guth and Grosch, 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-5 | SE-54 | SE-54 | DB-1 |
Column length (m) | 30. | 30. | 60. | |
Carrier gas | He | He | ||
Substrate | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | ||||
Program | 35C => 40C/min => 50C(2min) => 4C/min => 240C | not specified | 40 0C -> (unknowm rate) 50 0C (2 min) 6 0C/min -> 200 0C | not specified |
I | 980. | 979. | 981. | 953. |
Reference | Schieberle and Grosch, 1994 | Guth and Grosch, 1993 | Milo and Grosch, 1993 | Buttery, Teranishi, et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
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Evaluation of key odorants in milk chocolate and cocoa mass by aroma extract dilution analyses,
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Odour-active compounds in moderately roasted sesame,
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Identification of the character impact odorants of stewed beef juice by instrumental analyses and sensory studies,
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Potent odorants of rye bread crust - differences from the crumb and from wheat bread crust,
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Guth and Grosch, 1993
Guth, H.; Grosch, W.,
12-Methyltridecanal, a species-specific odorant of stewed beef,
Lebensm. Wiss. Technol., 1993, 26, 2, 171-177, https://doi.org/10.1006/fstl.1993.1035
. [all data]
Milo and Grosch, 1993
Milo, C.; Grosch, W.,
Changes in the odorants of boiled trout (Salmo fario) as affected by the storage of the raw material,
J. Agric. Food Chem., 1993, 41, 11, 2076-2081, https://doi.org/10.1021/jf00035a048
. [all data]
Buttery, Teranishi, et al., 1990
Buttery, R.G.; Teranishi, R.; Flath, R.A.; Ling, L.C.,
Identification of additional tomato paste volatiles,
J. Agric. Food Chem., 1990, 38, 3, 792-795, https://doi.org/10.1021/jf00093a042
. [all data]
Notes
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