2,3-Octanedione

Formula: C₈H₁₄O₂
Molecular weight: 142.1956
IUPAC Standard InChI: InChI=1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3
IUPAC Standard InChIKey: XCBBNTFYSLADTO-UHFFFAOYSA-N
CAS Registry Number: 585-25-1
Chemical structure:
This structure is also available as a 2d Mol file
Other names: 2,3-Octandione; Octane-2,3-dione; 2,3-Octadione
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Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
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Normal alkane RI, non-polar column, temperature ramp

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-5	HP-5 MS	SPB-1	5 % Phenyl methyl siloxane	5 % Phenyl methyl siloxane
Column length (m)	60.	30.	30.	30.	30.
Carrier gas		Helium	Helium	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.25
Phase thickness (μm)	1.00	0.25	1.0	1.	1.
T_start (C)	40.	50.	60.	40.	40.
T_end (C)	230.	230.	250.	250.	250.
Heat rate (K/min)	3.	4.	5.	7.	7.
Initial hold (min)	5.	4.	5.	10.	10.
Final hold (min)	10.	10.		5.	5.
I	982.	986.	964.	983.	983.
Reference	Sivadier, Ratel, et al., 2009	Forero, Quijano, et al., 2008	Frerot, Velluz, et al., 2008	Ramirez R. and Cava R., 2007	Ramirez R. and Cava R., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-5	BPX-5	BPX5	5 % Phenyl methyl siloxane	DB-5
Column length (m)	60.	25.	25.	0.	60.
Carrier gas		Helium	He	He	He
Substrate
Column diameter (mm)	0.32	0.20	0.20	0.25	0.25
Phase thickness (μm)	1.	0.13	0.13	1.	0.25
T_start (C)	40.	50.	50.	40.	35.
T_end (C)	230.	230.	230.	250.	280.
Heat rate (K/min)	3.	3.	3.	7.	5.
Initial hold (min)	5.	2.	2.	10.	2.
Final hold (min)	5.			5.	4.
I	982.	968.	985.	980.	979.
Reference	Vasta, Ratel, et al., 2007	Fons, Rapior, et al., 2006	Boustie, Rapior, et al., 2005	Ramírez, Estévez, et al., 2004	Dhanda, Pegg, et al., 2003
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	Ultra-2	Ultra-2
Column length (m)	60.	60.	50.	50.	50.
Carrier gas	Helium	He		He	He
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.32	0.32
Phase thickness (μm)	1.0	1.	0.52	0.52	0.52
T_start (C)	30.	40.	35.	40.	40.
T_end (C)	230.	240.	250.	250.	250.
Heat rate (K/min)	3.	3.	2.	4.	4.
Initial hold (min)			15.	3.	3.
Final hold (min)			45.	30.	30.
I	981.	982.	984.	986.	985.
Reference	Sebastian, Viallon-Fernandez, et al., 2003	García, Martín, et al., 2000	Boylston and Viniyard, 1998	King, Matthews, et al., 1995	King, Hamilton, et al., 1993
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	HG-5
Column length (m)	50.
Carrier gas	He
Substrate
Column diameter (mm)	0.32
Phase thickness (μm)	0.52
T_start (C)	35.
T_end (C)	250.
Heat rate (K/min)	3.
Initial hold (min)	15.
Final hold (min)	45.
I	986.
Reference	Drumm and Spanier, 1991
Comment	MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

Sivadier, Ratel, et al., 2009
Sivadier, G.; Ratel, J.; Engel, E., Latency and persistence of diet volatile biomarkers in lamb fats, J. Agric. Food Chem., 2009, 57, 2, 645-652, https://doi.org/10.1021/jf802467q . [all data]

Forero, Quijano, et al., 2008
Forero, M.D.; Quijano, C.E.; Pino, J.A., Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages, Flavour Fragr. J., 2008, 24, 1, 25-30, https://doi.org/10.1002/ffj.1913 . [all data]

Frerot, Velluz, et al., 2008
Frerot, E.; Velluz, A.; Bagnoud, A.; Delort, E., Analysis of the volatile constituents of cooked petai beans (Parkia speciosa) using high-resolution GC/TOF-MS, Flav. Fragr. J., 2008, 23, 6, 434-440, https://doi.org/10.1002/ffj.1902 . [all data]

Ramirez R. and Cava R., 2007
Ramirez R.; Cava R., Volatile profiles of dry-cured meat products from three different Iberian x Duroc genotypes, J. Agric. Food Chem., 2007, 55, 5, 1923-1931, https://doi.org/10.1021/jf062810l . [all data]

Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E., Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals, J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n . [all data]

Fons, Rapior, et al., 2006
Fons, F.; Rapior, S.; Fruchier, A., Volatile composition of Clitocybe amoenolens, Tricholoma caligatum and Hebeloma radicosum, Cryptogamie, Mycologie, 2006, 27, 1, 45-55. [all data]

Boustie, Rapior, et al., 2005
Boustie, J.; Rapior, S.; Fortin, H.; Tomas, S.; Bessiere, J.-M., Chemotaxonomic interest of volatile components in Lepista inversa and Lepista flaccida distinctions, Cryptogamie, Mycologie, 2005, 26, 1, 1-4. [all data]

Ramírez, Estévez, et al., 2004
Ramírez, M.R.; Estévez, M.; Morcuende, D.; Cava, R., Effect of the type of frying culinary fat on volatile compounds isolated in fried pork loin chops by using SPME-GC-MS, J. Agric. Food Chem., 2004, 52, 25, 7637-7643, https://doi.org/10.1021/jf049207s . [all data]

Dhanda, Pegg, et al., 2003
Dhanda, J.S.; Pegg, R.B.; Shand, P.J., Saskatchewan specialty livestock value-added program - Saskatchewan agri-food innovation fund (AFIF) Project #98000016, 2003, retrieved from http://www.agr.gov.sk.ca/afif/Projects/19980016.pdf. [all data]

Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L., Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding, Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511 . [all data]

García, Martín, et al., 2000
García, C.; Martín, A.; Timón, M.L.; Córdoba, J.J., Microbial populations and volatile compounds in the 'bone taint' spoilage of dry cured ham, Lett. Appl. Microbiol., 2000, 30, 1, 61-66, https://doi.org/10.1046/j.1472-765x.2000.00663.x . [all data]

Boylston and Viniyard, 1998
Boylston, T.D.; Viniyard, B.T., Isolation of volatile flavor compounds from peanut butter using purge-and-trap technique in Instrumental Methods in Food and Beverage Analysis, D. Wetzel and G. Charalambous, ed(s)., 1998, 225-243. [all data]

King, Matthews, et al., 1995
King, M.-F.; Matthews, M.A.; Rule, D.C.; Field, R.A., Effect of beef packaging method on volatile compounds developed by oven roasting or microwave cooking, J. Agric. Food Chem., 1995, 43, 3, 773-778, https://doi.org/10.1021/jf00051a039 . [all data]

King, Hamilton, et al., 1993
King, M.-F.; Hamilton, B.L.; Matthews, M.A.; Rule, D.C.; Field, R.A., Isolation and identification of volatiles and condensable material in raw beef with supercritical carbon dioxide extraction, J. Agric. Food Chem., 1993, 41, 11, 1974-1981, https://doi.org/10.1021/jf00035a030 . [all data]

Drumm and Spanier, 1991
Drumm, T.D.; Spanier, A.M., Changes in the content of lipid autoxidation and sulfur-containing compounds in cooked beef during storage, J. Agric. Food Chem., 1991, 39, 2, 336-343, https://doi.org/10.1021/jf00002a023 . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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