2-Pentanone
- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChIKey: XNLICIUVMPYHGG-UHFFFAOYSA-N
- CAS Registry Number: 107-87-9
- 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 acetone; Methyl n-propyl ketone; Methyl propyl ketone; Propyl methyl ketone; n-C3H7COCH3; Pentan-2-one; Metylopropyloketon; UN 1249; n-Propyl methyl ketone; Pentanone-2; NSC 5350
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Normal alkane 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 | CP-Wax CB | DB-Wax | FFAP | CP-Wax 52CB | CP-Wax 52CB |
Column length (m) | 30. | 30. | 30. | 60. | 60. |
Carrier gas | Helium | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | 0.5 |
Tstart (C) | 50. | 30. | 35. | 40. | 40. |
Tend (C) | 150. | 210. | 320. | 220. | 220. |
Heat rate (K/min) | 2. | 5. | 4. | 4. | 4. |
Initial hold (min) | 5. | 8. | 8. | ||
Final hold (min) | 5. | 45. | 20. | 20. | |
I | 965. | 990. | 1001. | 981. | 971. |
Reference | Alves, da Penha, et al., 2012 | Kumazawa, Itobe, et al., 2008 | Nebesny, Budryn, et al., 2007 | Povolo, Contarini, et al., 2007 | Povolo, Contarini, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | CP-Wax 52CB | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 30. | 30. | 60. |
Carrier gas | He | He | He | N2 | Nitrogen |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.25 | 0.50 |
Tstart (C) | 40. | 40. | 40. | 40. | 35. |
Tend (C) | 220. | 220. | 230. | 230. | 235. |
Heat rate (K/min) | 4. | 4. | 4. | 6. | 2. |
Initial hold (min) | 8. | 8. | 2. | 2. | 4. |
Final hold (min) | 20. | 20. | 15. | 15. | 30. |
I | 984. | 982. | 972. | 970. | 992. |
Reference | Povolo, Contarini, et al., 2007 | Povolo, Contarini, et al., 2007 | Fan and Qian, 2006 | Fan and Qian, 2006, 2 | Qian and Wang, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Supelcowax-10 | ZB-Wax | ZB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 30. | 30. | 60. |
Carrier gas | He | He | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.53 | 0.53 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 1. | 1. | 0.25 | 0.25 | 0.5 |
Tstart (C) | 40. | 40. | 40. | 40. | 35. |
Tend (C) | 240. | 240. | 250. | 250. | 240. |
Heat rate (K/min) | 4. | 4. | 5. | 5. | 4. |
Initial hold (min) | 2. | 2. | 2. | 2. | 5. |
Final hold (min) | 20. | 20. | 5. | 5. | 10. |
I | 1015. | 1018. | 983. | 990. | 1025. |
Reference | Rochat and Chaintreau, 2005 | Rochat and Chaintreau, 2005 | N/A | N/A | Chida, Sone, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PEG-20M | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | H2 | He | |||
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.20 | 0.5 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 50. | 40. | 30. | 30. |
Tend (C) | 180. | 200. | 185. | 250. | 250. |
Heat rate (K/min) | 3. | 3. | 4. | 4. | 4. |
Initial hold (min) | 5. | 10. | 4. | 1. | 1. |
Final hold (min) | 30. | 10. | 20. | ||
I | 980. | 992. | 960. | 975. | 975. |
Reference | Narain, Almeida, et al., 2004 | Alves and Franco, 2003 | Lee and Noble, 2003 | Tanaka, Yamauchi, et al., 2003 | Tanaka, Yamauchi, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | TC-Wax | FFAP | TC-Wax | DB-Wax |
Column length (m) | 30. | 60. | 30. | 60. | 30. |
Carrier gas | He | He | He | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.25 | 0.25 |
Tstart (C) | 40. | 50. | 35. | 40. | 25. |
Tend (C) | 200. | 230. | 240. | 230. | 220. |
Heat rate (K/min) | 3. | 2. | 5. | 3. | 4. |
Initial hold (min) | 10. | 3. | 10. | ||
Final hold (min) | 10. | 30. | |||
I | 969. | 957. | 969. | 975. | 940. |
Reference | Vichi, Pizzale, et al., 2003 | Fukami, Ishiyama, et al., 2002 | Lecanu, Ducruet, et al., 2002 | Suhardi, Suzuki, et al., 2002 | Duque, Bonilla, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Supelcowax-10 | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 60. | 60. | 30. |
Carrier gas | Nitrogen | H2 | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.53 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.5 | 1. | 0.25 | ||
Tstart (C) | 40. | 60. | 35. | 50. | 45. |
Tend (C) | 200. | 210. | 250. | 200. | 220. |
Heat rate (K/min) | 2. | 4. | 5. | 3. | 3. |
Initial hold (min) | 10. | 5. | |||
Final hold (min) | 20. | 40. | |||
I | 990. | 1000. | 989. | 971. | 976. |
Reference | Tamura, Boonbumrung, et al., 2000 | Iwatsuki, Mizota, et al., 1999 | Campeanu, Burcea, et al., 1998 | Horiuchi, Umano, et al., 1998 | Molleken U., Sinnwell V., et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | HP-Innowax | DB-Wax | Carbowax 20M | DB-Wax |
Column length (m) | 60. | 60. | 60. | 80. | 60. |
Carrier gas | He | H2 | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.2 | 0.32 |
Phase thickness (μm) | 0.5 | ||||
Tstart (C) | 60. | 50. | 40. | 70. | 50. |
Tend (C) | 180. | 180. | 200. | 170. | 230. |
Heat rate (K/min) | 2. | 1.5 | 2. | 2. | 4. |
Initial hold (min) | 2. | ||||
Final hold (min) | 10. | ||||
I | 966. | 940. | 975. | 969. | 975. |
Reference | Sekiwa, Kubota, et al., 1997 | Ulrich, Hoberg, et al., 1997 | Umano, Hagi, et al., 1995 | Anker, Jurs, et al., 1990 | Binder, Turner, et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | SP-1000 | DB-Wax | Carbowax 20M | Carbowax 20M |
Column length (m) | 25. | 60. | 150. | 31. |
Carrier gas | N2 | Helium | ||
Substrate | ||||
Column diameter (mm) | 0.2 | 0.32 | 0.66 | 0.50 |
Phase thickness (μm) | 0.43 | |||
Tstart (C) | 60. | 50. | 60. | 40. |
Tend (C) | 190. | 250. | 170. | 200. |
Heat rate (K/min) | 4. | 4. | 1. | 10. |
Initial hold (min) | 0.1 | 40. | ||
Final hold (min) | 30. | 5. | ||
I | 1025. | 971. | 990. | 981. |
Reference | De Llano D.G., Ramos M., et al., 1990 | Binder and Flath, 1989 | Buttery, Xu, et al., 1985 | Labropoulos, Palmer, et al., 1982 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Alves, da Penha, et al., 2012
Alves, V.C.C.; da Penha, M.F.A.; Pinto, N. deO.F.; Garruti, D. dosS.,
Volatile compounds profile of Musa FHIA 02: an option to counter losses by Black Sigatoka,
Nat. Prod. J., 2012, 5, 55-60. [all data]
Kumazawa, Itobe, et al., 2008
Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T.,
A new approach to estimate the in-mouth release characteristics of odorants in chewing gum,
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Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T.,
The effect of roasting method on headspace composition of robusta coffee bean aroma,
Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0
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Povolo, Contarini, et al., 2007
Povolo, M.; Contarini, G.; Mele, M.; Secchiari, P.,
Study on the influence of pasture on volatile fraction of Ewes' dairy products by solid-phase microextraction and gas chromatography-mass spectrometry,
J. Dairy Sci., 2007, 90, 2, 556-569, https://doi.org/10.3168/jds.S0022-0302(07)71539-4
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Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
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Fan and Qian, 2006, 2
Fan, W.; Qian, M.C.,
Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry,
Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621
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Qian and Wang, 2005
Qian, M.C.; Wang, Y.,
Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries,
J. Food. Sci., 2005, 70, 1, c13-c20, https://doi.org/10.1111/j.1365-2621.2005.tb09013.x
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Rochat and Chaintreau, 2005
Rochat, S.; Chaintreau, A.,
Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note,
J. Agric. Food Chem., 2005, 53, 24, 9578-9585, https://doi.org/10.1021/jf058089l
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Chida, Sone, et al., 2004
Chida, M.; Sone, Y.; Tamura, H.,
Aroma characteristics of stored tobacco cut leaves analyzed by a high vacuum distillation and canister system,
J. Agric. Food Chem., 2004, 52, 26, 7918-7924, https://doi.org/10.1021/jf049223p
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Narain, Almeida, et al., 2004
Narain, N.; Almeida, J.N.; Galvão, M.S.; Madruga, M.S.; de Brito, E.S.,
Volatile compounds in passion fruit (Passiflora edulis forma Flavicarpa) and yellow mombin (Spondias mombin L.) fruits obtained by dynamic headspace technique,
Cienc. Tecnol. Aliment. Campinas, 2004, 24, 2, 212-216, https://doi.org/10.1590/S0101-20612004000200009
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Alves and Franco, 2003
Alves, G.L.; Franco, M.R.B.,
Headspace gas chromatography-mass spectrometry of volatile compounds in murici (Byrsonima crassifolia L. Rich),
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Lee and Noble, 2003
Lee, S.-J.; Noble, A.C.,
Characterization of odor-active compounds in Californian Chardonnay wines using GC-olfactometry and GC-mass spectrometry,
J. Agric. Food Chem., 2003, 51, 27, 8036-8044, https://doi.org/10.1021/jf034747v
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Tanaka, Yamauchi, et al., 2003
Tanaka, T.; Yamauchi, T.; Katsumata, R.; Kiuchi, K.,
Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography,
Nippon Shokuhin Kagaku Kogaku Kaishi, 2003, 50, 6, 278-285, https://doi.org/10.3136/nskkk.50.278
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Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy,
J. Agric. Food Chem., 2003, 51, 22, 6572-6577, https://doi.org/10.1021/jf030269c
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Fukami, Ishiyama, et al., 2002
Fukami, K.; Ishiyama, S.; Yaguramaki, H.; Masuzawa, T.; Nabeta, Y.; Endo, K.; Shimoda, M.,
Identification of distinctive volatile compounds in fish sauce,
J. Agric. Food Chem., 2002, 50, 19, 5412-5416, https://doi.org/10.1021/jf020405y
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Lecanu, Ducruet, et al., 2002
Lecanu, L.; Ducruet, V.; Jouquand, C.; Gratadoux, J.J.; Feigenbaum, A.,
Optimization of headspace solid-phase microextraction (SPME) for the odor analysis of surface-ripened cheese,
J. Agric. Food Chem., 2002, 50, 13, 3810-3817, https://doi.org/10.1021/jf0117107
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Suhardi, Suzuki, et al., 2002
Suhardi, S.; Suzuki, M.; Yoshida, K.; Muto, T.; Fujita, A.; Watanbe, N.,
Changes in the volatile compounds and in the chemical and physical properties of snake fruit (Salacca edulis Reinw) Cv. Pondoh during maturation,
J. Agric. Food Chem., 2002, 50, 26, 7627-7633, https://doi.org/10.1021/jf020620e
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Duque, Bonilla, et al., 2001
Duque, C.; Bonilla, A.; Bautista, E.; Zea, S.,
Exudation of low molecular wight compounds (thiobismethane, methyl isocyanide, amd methyl isothiocyanate) as a possible chemical defense mechanism in the marine sponge Ircinia felix,
Biochem. Systematics Ecol., 2001, 29, 5, 459-467, https://doi.org/10.1016/S0305-1978(00)00081-8
. [all data]
Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68
. [all data]
Iwatsuki, Mizota, et al., 1999
Iwatsuki, K.; Mizota, Y.; Kubota, T.; Nishimura, O.; Masuda, H.; Sotoyama, K.; Tomita, M.,
Aroma extract dilution analysis. Evluation of aroma of pasteurized and UHT processed milk by aroma extract dilution analysis,
Nippon Shokuhin Kagaku Kogaku Kaishi, 1999, 46, 9, 587-597, https://doi.org/10.3136/nskkk.46.587
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Campeanu, Burcea, et al., 1998
Campeanu, G.; Burcea, M.; Doneanu, C.; Namolosanu, I.; Visan, L.,
GC/MS characterization of the volatiles isolated from the wines obtained from the indigenous cultivar Feteasca Regala,
Analusis, 1998, 26, 2, 93-97, https://doi.org/10.1051/analusis:1998117
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Horiuchi, Umano, et al., 1998
Horiuchi, M.; Umano, K.; Shibamoto, T.,
Analysis of volatile compounds formed from fish oil heated with cysteine and trimethylamine oxide,
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Molleken U., Sinnwell V., et al., 1998
Molleken U.; Sinnwell V.; Kubeczka K.H.,
TThe essential oil composition of fruits from Smyrnium perfoliatum,
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Sekiwa, Kubota, et al., 1997
Sekiwa, Y.; Kubota, K.; Kobayashi, A.,
Characteristic flavor components in the brew of cooked clam (Meretrix lusoria) and the effect of storage on flavor formation,
J. Agric. Food Chem., 1997, 45, 3, 826-830, https://doi.org/10.1021/jf960433e
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Ulrich, Hoberg, et al., 1997
Ulrich, D.; Hoberg, E.; Rapp, A.; Kecke, S.,
Analysis of strawberry flavour - discrimination of aroma types by quantification of volatile compounds,
Z. Lebensm. Unters. Forsch. A, 1997, 205, 3, 218-223, https://doi.org/10.1007/s002170050154
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Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T.,
Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system,
J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046
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Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A.,
Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups,
Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006
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Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A.,
Volatile components of purple starthistle,
J. Agric. Food Chem., 1990, 38, 4, 1053-1055, https://doi.org/10.1021/jf00094a030
. [all data]
De Llano D.G., Ramos M., et al., 1990
De Llano D.G.; Ramos M.; Polo C.; Sanz J.; Martinez-Castro I.,
Evolution of the volatile components of an artisanal blue cheese during ripening,
J. Dairy Sci., 1990, 73, 7, 1676-1683, https://doi.org/10.3168/jds.S0022-0302(90)78842-X
. [all data]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [all data]
Buttery, Xu, et al., 1985
Buttery, R.G.; Xu, C.; Ling, L.C.,
Volatile components of wheat leaves (and stems): Possible insect attractants,
J. Agric. Food Chem., 1985, 33, 1, 115-117, https://doi.org/10.1021/jf00061a033
. [all data]
Labropoulos, Palmer, et al., 1982
Labropoulos, A.E.; Palmer, J.K.; Tao, P.,
Flavor evaluation and characterization of yogurt as affected by ultra-high temperature and vat processes,
J. Dairy Sci., 1982, 65, 2, 191-196, https://doi.org/10.3168/jds.S0022-0302(82)82176-0
. [all data]
Notes
Go To: Top, Normal alkane 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
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