Propanal
- Formula: C3H6O
- Molecular weight: 58.0791
- IUPAC Standard InChI: InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
- IUPAC Standard InChIKey: NBBJYMSMWIIQGU-UHFFFAOYSA-N
- CAS Registry Number: 123-38-6
- 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. - Other names: Propionaldehyde; Methylacetaldehyde; Propaldehyde; Propional; Propionic aldehyde; Propylaldehyde; Propylic aldehyde; C2H5CHO; n-Propionaldehyde; Propanalaldehyde; n-Propanal; Aldehyde propionique; Propanaldehyde; NCI-C61029; UN 1275; 1-Propanone; 1-Propanal; Proprionaldehyde; NSC 6493
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Gas Chromatography
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | HP-1 | 110. | 473.63 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
| Capillary | HP-1 | 20. | 473.7 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
| Capillary | HP-1 | 30. | 473.5 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
| Capillary | HP-1 | 40. | 473.3 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
| Capillary | HP-1 | 50. | 472.71 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
| Capillary | HP-1 | 60. | 473.1 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
| Capillary | HP-1 | 70. | 472.74 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
| Capillary | HP-1 | 90. | 473.04 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
| Capillary | HP-1 | 110. | 474. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
| Capillary | HP-1 | 50. | 473. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
| Capillary | HP-1 | 70. | 473. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
| Capillary | HP-1 | 90. | 473. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
| Packed | SE-30 | 100. | 480. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
| Packed | Squalane | 50. | 443. | Becerra, Sánchez, et al., 1982 | N2, Chromosorb W-AM; Column length: 6. m |
| Packed | SE-30 | 150. | 479. | Haken, Nguyen, et al., 1979 | Celatom AW silanized; Column length: 3.7 m |
| Packed | Apiezon L | 120. | 456. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
| Packed | Apiezon L | 160. | 460. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
| Packed | Apiezon L | 70. | 455. | Bogoslovsky, Anvaer, et al., 1978 | |
| Packed | Squalane | 50. | 437. | Mira and Sanchez, 1970 | Chromosorb G |
| Packed | Apiezon L | 100. | 461. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
| Packed | Apiezon L | 150. | 470. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
| Packed | DC-200 | 100. | 475. | Rohrschneider, 1966 | Column length: 4. m |
| Packed | Squalane | 100. | 437. | Rohrschneider, 1966 | Column length: 5. m |
| Packed | Apiezon L | 100. | 460. | Rohrschneider, 1966 | Column length: 5. m |
| Packed | SE-30 | 80. | 460. | Viani, Müggler-Chavan, et al., 1965 | He, Chromosorb P; Column length: 6. m |
| Packed | Apiezon L | 130. | 451. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
| Packed | Apiezon L | 70. | 455. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | HP-Innowax | 110. | 816.5 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
| Capillary | HP-Innowax | 50. | 808.8 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
| Capillary | HP-Innowax | 70. | 810.4 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
| Capillary | HP-Innowax | 90. | 812.9 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
| Packed | Carbowax 20M | 100. | 748. | Kevei and Kozma, 1976 | Chromosorb |
| Packed | Carbowax 20M | 100. | 798. | Rohrschneider, 1966 | Column length: 2. m |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 784. | Umano and Shibamoto, 1987 | He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
| Packed | PEG-20M | 784. | Galt and MacLeod, 1984 | N2, Celite, 70. C @ 9. min, 10. K/min; Column length: 5.5 m; Tend: 175. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 472. | Bartelt, 1997 | 30. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 506. | Engel, Baty, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min) |
| Packed | SE-30 | 468. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 762. | Nielsen, Larsen, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min |
| Capillary | DB-Wax | 762. | Nielsen, Larsen, et al., 2004, 2 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min |
| Capillary | DB-Wax | 762. | Nielsen, Larsen, et al., 2004, 3 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 10. min, 6. K/min, 240. C @ 30. min |
| Capillary | DB-Wax | 807. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
| Capillary | HP-Wax | 801. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
| Capillary | FFAP | 800. | Ott, Fay, et al., 1997 | 30. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min |
| Capillary | DB-Wax | 784. | Shimoda, Peralta, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 801. | Bianchi, Cantoni, et al., 2007 | 30. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min) |
| Capillary | Supelcowax-10 | 801. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
| Capillary | Supelcowax-10 | 801. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
| Capillary | Supelcowax-10 | 800. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
| Capillary | FFAP | 784. | Yasuhara, 1987 | 50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-1 | 60. | 473. | Amboni, Junkes, et al., 2002 | |
| Packed | Squalane | 125. | 452. | Cremer and Nonn, 1964 | H2, Chromosorb W (80-100 mesh); Column length: 3. m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 480. | Buttery, Ling, et al., 1997 | 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
| Capillary | RTX-5 | 450. | Milo and Grosch, 1995 | 30. m/0.52 mm/1.5 μm, He, 6. K/min; Tstart: 5. C; Tend: 230. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 511. | Miyazaki, Plotto, et al., 2011 | 60. m/0.25 mm/1.00 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) |
| Capillary | VB-5 | 498. | Karlshøj, Nielsen, et al., 2007 | 60. m/0.25 mm/1. μm, He; Program: 35C(1min) => 4C/min => 175C => 10C/min => 260C |
| Capillary | HP-1 | 473. | Junkes, Amboni, et al., 2004 | Program: not specified |
| Capillary | SPB-1 | 464. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
| Capillary | Polydimethyl siloxanes | 479. | Zenkevich and Chupalov, 1996 | Program: not specified |
| Capillary | SPB-1 | 464. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
| Capillary | CP Sil 8 CB | 500. | Weller and Wolf, 1989 | 40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C |
| Capillary | OV-101 | 461. | Shibamoto, 1987 | Program: not specified |
| Capillary | SF96+Igepal | 500. | Flath, Altieri, et al., 1984 | Column length: 152. m; Column diameter: 0.76 mm; Program: 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 480. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 823. | Feng, Zhuang, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 3. K/min, 220. C @ 5. min |
| Capillary | DB-Wax | 783. | Ganeko, Shoda, et al., 2008 | 4. K/min; Column length: 60. m; Column diameter: 0.35 mm; Tstart: 40. C; Tend: 200. C |
| Capillary | ZB-Wax | 808. | Marin, Pozrl, et al., 2008 | 60. m/0.32 mm/0.50 μm, Helium, 40. C @ 5. min, 4. K/min, 220. C @ 5. min |
| Capillary | DB-Wax | 784. | Rizzolo, Cambiaghi, et al., 2005 | 60. m/0.53 mm/1. μm, 50. C @ 10. min, 3. K/min; Tend: 180. C |
| Capillary | Supelcowax-10 | 826. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
| Capillary | Supelcowax-10 | 827. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
| Capillary | Supelcowax-10 | 828. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
| Capillary | DB-Wax | 798. | Chida, Sone, et al., 2004 | 60. m/0.25 mm/0.5 μm, 35. C @ 5. min, 4. K/min, 240. C @ 10. min |
| Capillary | TC-Wax | 797. | Ishikawa, Ito, et al., 2004 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; Tend: 230. C |
| Capillary | Supelcowax-10 | 800. | Girard and Durance, 2000 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; Tend: 200. C |
| Capillary | DB-Wax | 790. | Tamura, Boonbumrung, et al., 2000 | Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
| Capillary | DB-Wax | 799. | Schlüter, Steinhart, et al., 1999 | 60. m/0.32 mm/0.25 μm, He, 34. C @ 3. min, 5. K/min, 200. C @ 10. min |
| Capillary | DB-Wax | 790. | Horiuchi, Umano, et al., 1998 | 60. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C |
| Capillary | Carbowax 20M | 788. | Kawakami and Kobayashi, 1991 | He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 816. | Feng, Zhuang, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-Wax | 747. | Miyazaki, Plotto, et al., 2011 | 60. m/0.25 mm/0.50 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) |
| Capillary | HP-Innowax | 804. | Cajka, Riddellova, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min) |
| Capillary | HP-Innowax | 780. | Narain, Galvao, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min) |
| Capillary | HP-Innowax | 763. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) |
| Capillary | DB-Wax | 769. | Gyawalia, Seo, et al., 2006 | 60. m/0.2 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C |
| Capillary | Innowax | 809. | Junkes, Amboni, et al., 2004 | Program: not specified |
| Capillary | DB-Wax | 816. | Kim. J.H., Ahn, et al., 2004 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C |
| Capillary | DB-Wax | 790. | Mattheis, Buchanan, et al., 1992 | 60. m/0.25 mm/0.25 μm, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) |
| Capillary | DB-Wax | 782. | Peng, Yang, et al., 1991 | Program: not specified |
| Capillary | Carbowax 20M | 784. | Shibamoto, 1987 | Program: not specified |
| Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 795. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Héberger, Görgényi, et al., 2002
Héberger, K.; Görgényi, M.; Kowalska, T.,
Temperature dependence of Kováts indices in gas chromatography revisited,
J. Chromatogr. A, 2002, 973, 1-2, 135-142, https://doi.org/10.1016/S0021-9673(02)01198-6
. [all data]
Héberger and Görgényi, 1999
Héberger, K.; Görgényi, M.,
Principal component analysis of Kováts indices for carbonyl compounds in capillary gas chromatography,
J. Chromatogr., 1999, 845, 1-2, 21-31, https://doi.org/10.1016/S0021-9673(99)00323-4
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Winskowski, 1983
Winskowski, J.,
Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren,
Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041
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Becerra, Sánchez, et al., 1982
Becerra, M.R.; Sánchez, E.F.; Domínguez, J.A.G.; Muñoz, J.G.; Molera, M.J.,
The use of gaseous and liquid n-paraffins in GC identification of oxidation products of acetondimethyl acetal,
J. Chromatogr. Sci., 1982, 20, 8, 363-366, https://doi.org/10.1093/chromsci/20.8.363
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Haken, Nguyen, et al., 1979
Haken, J.K.; Nguyen, A.; Wainwright, M.S.,
Application of linear extrathermodynamic relationships to alcohols, aldehydes, ketones, amd ethoxy alcohols,
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Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Mira and Sanchez, 1970
Mira, J.M.; Sanchez, L.G.,
Polarity of the Gas Chromatographic Stationary Phases and Retention Indices of Aliphatic Esters, Ketones and Alcohols,
Anal. Chim. Acta., 1970, 50, 2, 315-321, https://doi.org/10.1016/0003-2670(70)80071-X
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Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J.,
Gas chromatography of polar solutes in electron acceptor stationary phases,
Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125
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Rohrschneider, 1966
Rohrschneider, L.,
Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten,
J. Chromatogr., 1966, 22, 6-22, https://doi.org/10.1016/S0021-9673(01)97064-5
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Viani, Müggler-Chavan, et al., 1965
Viani, R.; Müggler-Chavan, F.; Reymond, D.; Egli, R.H.,
196. Sur la composition de l'arôme de café,
Helv. Chim. Acta, 1965, 48, 195-196, 1809-1815, https://doi.org/10.1002/hlca.19650480743
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von Kováts, 1958
von Kováts, E.,
206. Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone,
Helv. Chim. Acta, 1958, 41, 7, 1915-1932, https://doi.org/10.1002/hlca.19580410703
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Kevei and Kozma, 1976
Kevei, E.; Kozma, E.,
Gaschromatographische Untersuchungsmethoden zur Aromaprüfung in gekochtem Schweinefleisch (M. semimembranosus),
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Umano and Shibamoto, 1987
Umano, K.; Shibamoto, T.,
Analysis of headspace volatiles from overheated beef fat,
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Galt and MacLeod, 1984
Galt, A.M.; MacLeod, G.,
Headspace sampling of cooked beef aroma using Tenax GC,
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Bartelt, 1997
Bartelt, R.J.,
Calibration of a commercial solid-phase microextraction device for measuring headspace concentrations of organic volatiles,
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Engel, Baty, et al., 2002
Engel, E.; Baty, C.; le Corre, D.; Souchon, I.; Martin, N.,
Flavor-active compounds potentially implicated in cooked cauliflower acceptance,
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Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
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Nielsen, Larsen, et al., 2004
Nielsen, G.S.; Larsen, L.M.; Poll, L.,
Formation of aroma compounds during long-term frozen storage of unblanched leek (Allium ampeloprasum Var. Bulga) as affected by packaging atmosphere and slice thickness,
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Nielsen, Larsen, et al., 2004, 2
Nielsen, G.S.; Larsen, L.M.; Poll, L.,
Formation of volatile compounds in model experiments with crude leek (Allium ampeloprasum Var. Lancelot) enzyme extract and linoleic acid or linolenic acid,
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Nielsen, Larsen, et al., 2004, 3
Nielsen, G.S.; Larsen, L.M.; Poll, L.,
Impact of blanching and packaging atmosphere on the formation of aroma compounds during long-term frozen storage of leek (Allium ampeloprasum Var. Bulga) slices,
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Peng, 2000
Peng, C.T.,
Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index,
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Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A.,
Determination and origin of the aroma impact compounds of yogurt flavor,
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Shimoda, Peralta, et al., 1996
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Notes
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