Pentanal
- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChIKey: HGBOYTHUEUWSSQ-UHFFFAOYSA-N
- CAS Registry Number: 110-62-3
- 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: Valeraldehyde; n-Pentanal; n-Valeraldehyde; Valeral; Valerianic aldehyde; Valeric acid aldehyde; Valeric aldehyde; Valeryl aldehyde; n-C4H9CHO; Amyl aldehyde; Butyl formal; UN 2058; n-Valeric aldehyde; 1-Pentanal; Pentan-1-al; NSC 35404; Pentylaldehyde; pentanal (valeraldehyde); valderaldehyde
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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 | HP-Innowax | CP Wax 52 CB | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 40. | 40. | 60. | |
Tend (C) | 220. | 230. | 230. | 240. | 200. |
Heat rate (K/min) | 3. | 4. | 6. | 6. | 8. |
Initial hold (min) | 1. | 2. | 2. | 3. | |
Final hold (min) | 5. | 15. | 20. | 5. | 9.5 |
I | 985. | 991. | 971. | 973. | 1004. |
Reference | Feng, Zhuang, et al., 2011 | Birtic, Ginies, et al., 2009 | Chen, Song, et al., 2009 | Mallia, Escher, et al., 2009 | Rochat, Egger, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | Stabilwax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.35 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.50 | |
Tstart (C) | 60. | 60. | 60. | 35. | 40. |
Tend (C) | 200. | 200. | 200. | 225. | 200. |
Heat rate (K/min) | 8. | 8. | 8. | 6. | 4. |
Initial hold (min) | 3. | 3. | 3. | 5. | |
Final hold (min) | 9.5 | 9.5 | 9.5 | 10. | |
I | 1005. | 1006. | 989. | 980. | 977. |
Reference | Rochat, Egger, et al., 2009 | Rochat, Egger, et al., 2009 | Rochat, Egger, et al., 2009 | Watcharananun, Cadwallader, et al., 2009 | Ganeko, Shoda, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-FFAP | FFAP | CP-Wax 52CB | TR-WAX | TR-WAX |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
Carrier gas | Helium | N2 | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.25 | 0.25 |
Tstart (C) | 40. | 35. | 40. | 40. | 40. |
Tend (C) | 120. | 320. | 220. | 200. | 200. |
Heat rate (K/min) | 3. | 4. | 4. | 3. | 3. |
Initial hold (min) | 3. | 5. | 8. | 10. | 10. |
Final hold (min) | 5. | 45. | 20. | 10. | |
I | 934. | 953. | 986. | 979. | 935. |
Reference | Guzman-Geronimo, Lopez, et al., 2008 | Nebesny, Budryn, et al., 2007 | Povolo, Contarini, et al., 2007 | Tena N., Lazzez A., et al., 2007 | Salas J.J., Garcia-Gonzalez D.L., et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Stabilwax | Innowax | Supelcowax-10 | Supelcowax-10 |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
Carrier gas | N2 | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.53 | 0.53 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 1. | 1. |
Tstart (C) | 40. | 40. | 60. | 40. | 40. |
Tend (C) | 230. | 280. | 240. | 240. | 240. |
Heat rate (K/min) | 4. | 6. | 5. | 4. | 4. |
Initial hold (min) | 2. | 5. | 2. | 2. | |
Final hold (min) | 5. | 5. | 30. | 20. | 20. |
I | 929. | 941. | 984. | 1004. | 1011. |
Reference | Fan and Qian, 2005 | Jirovetz, Buchbauer, et al., 2005 | Joichi, Yomogida, et al., 2005 | Rochat and Chaintreau, 2005 | Rochat and Chaintreau, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | TR-WAX | DB-Wax | HP-FFAP | PEG-20M | Supelcowax-10 |
Column length (m) | 60. | 60. | 30. | 50. | 30. |
Carrier gas | H2 | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.20 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.20 | 0.25 |
Tstart (C) | 40. | 35. | 40. | 40. | 40. |
Tend (C) | 200. | 240. | 120. | 180. | 200. |
Heat rate (K/min) | 3. | 4. | 5. | 3. | 3. |
Initial hold (min) | 10. | 5. | 5. | 5. | 10. |
Final hold (min) | 10. | 3. | 30. | ||
I | 935. | 991. | 934. | 981. | 977. |
Reference | Salas, Sánchez, et al., 2005 | Chida, Sone, et al., 2004 | López, Guzmán, et al., 2004 | Narain, Almeida, et al., 2004 | Vichi, Castellote, 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 | Supelcowax-10 | DB-Wax | Supelcowax-10 | DB-Wax |
Column length (m) | 30. | 30. | 30. | 60. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 40. | 40. | 40. | 35. | 30. |
Tend (C) | 200. | 200. | 250. | 200. | 170. |
Heat rate (K/min) | 3. | 3. | 8. | 4. | 2. |
Initial hold (min) | 10. | 10. | 5. | 10. | 4. |
Final hold (min) | 5. | 60. | |||
I | 979. | 970. | 953. | 981. | 974. |
Reference | Vichi, Pizzale, et al., 2003 | Vichi, Pizzale, et al., 2003, 2 | Fu, Yoon, et al., 2002 | Girard and Durance, 2000 | Buttery, Orts, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax | DB-Wax | DB-Wax | Innowax | TC-Wax |
Column length (m) | 60. | 60. | 30. | 30. | 60. |
Carrier gas | He | He | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | |
Tstart (C) | 60. | 50. | 45. | 40. | 80. |
Tend (C) | 220. | 200. | 220. | 240. | 240. |
Heat rate (K/min) | 3. | 3. | 6. | 3. | |
Initial hold (min) | 10. | 10. | 5. | ||
Final hold (min) | 40. | 25. | |||
I | 993. | 971. | 982. | 983. | 973. |
Reference | Kaya, Baser, et al., 1999 | Horiuchi, Umano, et al., 1998 | Molleken U., Sinnwell V., et al., 1998 | Petersen, Poll, et al., 1998 | Shuichi, Masazumi, et al., 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | PEG-20M | PEG-20M | DB-Wax |
Column length (m) | 60. | 60. | 50. | 50. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.15 | 0.15 | |||
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 180. | 180. | 180. | 180. | 220. |
Heat rate (K/min) | 2. | 2. | 2. | 2. | 3. |
Initial hold (min) | 4. | 4. | 4. | 4. | 4. |
Final hold (min) | |||||
I | 967. | 967. | 960. | 963. | 1003. |
Reference | Kobayashi, Tsuda, et al., 1995 | Kobayashi, Tsuda, et al., 1995 | Togari, Kobayashi, et al., 1995 | Togari, Kobayashi, et al., 1995 | Chung, Eiserich, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | DB-Wax | DB-Wax |
Column length (m) | 50. | 50. | 80. | 60. | 60. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.32 | 0.32 |
Phase thickness (μm) | |||||
Tstart (C) | 60. | 60. | 70. | 50. | 50. |
Tend (C) | 180. | 180. | 170. | 230. | 230. |
Heat rate (K/min) | 2. | 2. | 2. | 4. | 4. |
Initial hold (min) | 4. | 4. | 0.1 | ||
Final hold (min) | 10. | 10. | |||
I | 960. | 960. | 1002. | 975. | 973. |
Reference | Kawakami, Kobayashi, et al., 1993 | Kawakami and Kobayashi, 1991 | Anker, Jurs, et al., 1990 | Binder, Benson, et al., 1990 | Binder, Flath, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | DB-Wax | DB-Wax | Carbowax 20M | Carbowax 20M |
Column length (m) | 60. | 60. | 60. | 31. | 50. |
Carrier gas | He | He | He | Helium | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.50 | 0.28 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 40. | 30. | 30. | 40. | 80. |
Tend (C) | 175. | 180. | 180. | 200. | 170. |
Heat rate (K/min) | 1. | 2. | 2. | 10. | 1. |
Initial hold (min) | 5. | 4. | 4. | ||
Final hold (min) | |||||
I | 979. | 975. | 975. | 976. | 951. |
Reference | Hsieh, Williams, et al., 1989 | Takeoka and Butter, 1989 | Takeoka and Butter, 1989 | Labropoulos, Palmer, et al., 1982 | Yamaguchi and Shibamoto, 1980 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Carbowax 20M |
Column length (m) | 50. |
Carrier gas | N2 |
Substrate | |
Column diameter (mm) | 0.28 |
Phase thickness (μm) | |
Tstart (C) | 80. |
Tend (C) | 170. |
Heat rate (K/min) | 1. |
Initial hold (min) | |
Final hold (min) | |
I | 954. |
Reference | Yamaguchi and Shibamoto, 1980 |
Comment | 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.
Feng, Zhuang, et al., 2011
Feng, T.; Zhuang, H.; Ye, R.; Jin, Z.; Xu, X.; Xie, Z.,
Analysis of volatile compounds of Mesona Blumes gum/rice extrudates via GC-MS and electronic nose,
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Birtic, Ginies, et al., 2009
Birtic, S.; Ginies, C.; Causse, M.; Renard, C.M.G.C.; Page, D.,
Changes in volatiles and glycosides during fruit maturartion of two contrasted tomato (Solanum lycopersicum) lines,
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Chen, Song, et al., 2009
Chen, G.; Song, H.; Ma, C.,
Aroma-active aompounds of Beijing roast duck,
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Mallia, Escher, et al., 2009
Mallia, S.; Escher, F.; Dubois, S.; Schieberle, P.; Schlichtherle-Cerny, H.,
Characterization and quantification of odor-active compounds in unsaturated fatty acid/conjugated linoleic acid (UFA/CLA)-enriched butter and in conventional butter during storage and induced oxidation,
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Rochat, Egger, et al., 2009
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Strategy for the identification of key odorants: application to shrimp aroma,
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Ganeko, Shoda, et al., 2008
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Guzman-Geronimo, Lopez, et al., 2008
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Microwave processing of avocado: volatile flavor profiling and olfactometry,
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Povolo, Contarini, et al., 2007
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Study on the influence of pasture on volatile fraction of Ewes' dairy products by solid-phase microextraction and gas chromatography-mass spectrometry,
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Fan and Qian, 2005
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Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
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Jirovetz, Buchbauer, et al., 2005
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.; Balinova, A.; Guangjiun, Z.; Xihan, M.,
Solid phase microextraction/gas chromatographic and olfactory analysis of the scent and fixative properties of the essential oil of Rosa damascena L. from China,
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Joichi, Yomogida, et al., 2005
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Rochat and Chaintreau, 2005
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Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note,
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Salas, Sánchez, et al., 2005
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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,
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López, Guzmán, et al., 2004
López, M.G.; Guzmán, G.R.; Dorantes, A.L.,
Solid-phase microextraction and gas chromatography-mass spectrometry of volatile compounds from avocado puree after microwave processing,
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Vichi, Pizzale, et al., 2003, 2
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
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Fu, Yoon, et al., 2002
Fu, S.-G.; Yoon, Y.; Basemore, R.,
Aroma-actie components in fermented bamboo shoots,
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Girard and Durance, 2000
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Volatile flavor components of rice cakes,
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Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Tümen, G.; Koca, F.,
The essential oil of Acinos suaveolens (Sm.) G. Don fil. Acinos arvensis (Lam.) Dandy and Acinos rotundifolius Pers. growing wild in Turkey,
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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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Petersen, Poll, et al., 1998
Petersen, M.A.; Poll, L.; Larsen, L.M.,
Comparison of volatiles in raw and boiled potatoes using a mild extraction technique combined with GC odour profiling and GC-MS,
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. [all data]
Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]
Kobayashi, Tsuda, et al., 1995
Kobayashi, A.; Tsuda, Y.; Hirata, N.; Kubota, K.; Kitamura, K.,
Aroma constituents of soybean [Glycine max (L.) Merril] milk lacking lipoxygenase isozymes,
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. [all data]
Togari, Kobayashi, et al., 1995
Togari, N.; Kobayashi, A.; Aishima, T.,
Pattern recognition applied to gas chromatographic profiles of volatile components in three tea categories,
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Notes
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- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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