Methional
- Formula: C4H8OS
- Molecular weight: 104.171
- IUPAC Standard InChIKey: CLUWOWRTHNNBBU-UHFFFAOYSA-N
- CAS Registry Number: 3268-49-3
- 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: Propanal, 3-(methylthio)-; Propionaldehyde, 3-(methylthio)-; β-(Methylmercapto)propionaldehyde; β-(Methylthio)propionaldehyde; 3-(Methylmercapto)propionaldehyde; 3-(Methylthio)propionaldehyde; 3-Methylthiopropional; Methylmercaptopropionic aldehyde; 3-(Methylthio)propanal; 4-Thiapentanal; UN 2785; 3-(Methythio)-propanal; 3-Methylmercaptopropyl aldehyde; NSC 15874; 3-(methylthio)propanal (methional); 3-Methylthio-1-propanal; 3-(methylsulfanyl)propanal; 3-(methylthio)propionaldehyde (methional); 3-(methylthiol)propanal
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, 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 | EC-1000 | DB-Wax | DB-Wax | DB-FFAP | DB-FFAP |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Hydrogen | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.50 | 0.50 | 0.25 | 0.25 | |
Program | not specified | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (40 min) | 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 | 1470. | 1452. | 1452. | 1452. | 1449. |
Reference | Delabre and Bendall, 9999 | San-Juan, Petka, et al., 2010 | Ferreira, Juan, et al., 2009 | Buettner, 2007 | Buettner, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-FFAP | DB-FFAP | HP-Innowax | HP-Innowax | FFAP |
Column length (m) | 30. | 30. | 60. | 60. | 25. |
Carrier gas | Helium | Helium | 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 | 0.3 |
Program | 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min) | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min) | 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) | not specified | 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C |
I | 1471. | 1460. | 1469. | 1418. | 1414. |
Reference | Carrapiso and Garsia, 2007 | Lasekan, Buettner, et al., 2007 | Viegas and Bassoli, 2007 | Viegas and Bassoli, 2007 | Bailly, Jerkovic, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | DB-FFAP | DB-FFAP | DB-FFAP | DB-FFAP |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | 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 | 0.25 |
Program | 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) | 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) | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min) |
I | 1449. | 1449. | 1449. | 1449. | 1449. |
Reference | Buettner and Welle, 2004 | Buettner and Welle, 2004 | Buettner, 2004 | Buettner, 2004 | Buettner, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | DB-Wax | CP-WAX 57CB | DB-Wax | DB-Wax |
Column length (m) | 30. | 60. | 50. | 60. | |
Carrier gas | He | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.5 | |
Program | 35C(1min) => 60C/min => 60C => 6C/min => 230C | 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C | 40C(10min) => 5C/min => 100C => 3C/min => 180C => 20C/min => 210C (10min) | not specified | 35C(4min) => 2C/min => 130C => 4C/min => 250C |
I | 1465. | 1452. | 1468. | 1461. | 1458. |
Reference | Didzbalis, Ritter, et al., 2004 | Kim. J.H., Ahn, et al., 2004 | Martí, Mestres, et al., 2003 | Peterson and Reineccius, 2003 | Qian and Reineccius, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | Supelcowax-10 | TRWAX | FFAP | DB-FFAP |
Column length (m) | 30. | 60. | 60. | 30. | 30. |
Carrier gas | H2 | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.3 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 35C (1min) => 40C/min => 60C (5min) => 4C/min => 220C | 40C(20min) => (1.5C/min) => 200C => (10C/min) => 250C(120min) | not specified | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min) | 35 0C (2 min) 40 K/min -> 60 0C (1 min) 6 K/min -> 240 0C |
I | 1446. | 1427. | 1495. | 1449. | 1450. |
Reference | Triqui and Bouchriti, 2003 | Rogerson and de Freitas, 2002 | Torrens, 2002 | Buettner and Schieberle, 2001 | Mayer and Grosch, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | DB-FFAP | CP Wax 52 CB | FFAP | FFAP |
Column length (m) | 25. | 30. | 50. | ||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.20 | |||
Program | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 230C | 35C => 40C/min => 60C (1min) => 6C/min => 250C | 50 0C (10 min) 2 0C/min -> 100 0C 5 0C/min -> 150 0C 7 0C/min -> 220 0C (20 min) | not specified | not specified |
I | 1439. | 1448. | 1444. | 1465. | 1445. |
Reference | Zehentbauer and Grosch, 1998 | Lizárraga-Guerra, Guth, et al., 1997 | Patterson and Stevenson, 1995 | Blank, Stampfli, et al., 1994 | Guth and Grosch, 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | Supelcowax-10 | FFAP | DB-Wax | FFAP |
Column length (m) | 30. | 30. | ||
Carrier gas | He | He | ||
Substrate | ||||
Column diameter (mm) | 0.32 | 0.25 | ||
Phase thickness (μm) | 0.5 | |||
Program | 35C => 40C/min => 60C(2min) => 4C/min => 240C | not specified | 35C => 40C/min => 50C(2min) => 6C/min => 200C | not specified |
I | 1451. | 1445. | 1458. | 1455. |
Reference | Schieberle and Grosch, 1994 | Guth and Grosch, 1993 | Milo and Grosch, 1993 | Blank, Sen, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Delabre and Bendall, 9999
Delabre, M.-L.; Bendall, J.F.,
Flavour ingredients from fermented dairy streams,
Expression of Multidisciplinary Flavour Sci., 9999, 375-378. [all data]
San-Juan, Petka, et al., 2010
San-Juan, F.; Petka, J.; Cacho, J.; Ferreira, V.; Escudero, A.,
Producing headspace extracts for the gas chromatography - olphactometric evaluation of wine aroma,
Food Chemistry, 2010, 123, 1, 188-195, https://doi.org/10.1016/j.foodchem.2010.03.129
. [all data]
Ferreira, Juan, et al., 2009
Ferreira, V.; Juan, F.S.; Escudero, A.; Cullere, L.; Fernandez-Zurbano, P.; Saenz-Navajas, M.P.; Cacho, J.,
Modeling quality of premium Spanish red wines from gas chromatography-olfactometry data,
J. Agr. Food. Chem., 2009, 57, 16, 7490-7498, https://doi.org/10.1021/jf9006483
. [all data]
Buettner, 2007
Buettner, A.,
A selective and sensitive approach to characterize odour-active and volatile constituents in small-scale human milk samples,
Flavour Fragr. J., 2007, 22, 6, 465-473, https://doi.org/10.1002/ffj.1822
. [all data]
Carrapiso and Garsia, 2007
Carrapiso, A.I.; Garsia, C.,
Effect of sampling conditions on the odour-active compounds of iberian ham,
Cienc. Technol. Aliment., 2007, 5, 4, 287-290, https://doi.org/10.1080/11358120709487703
. [all data]
Lasekan, Buettner, et al., 2007
Lasekan, O.; Buettner, A.; Christlbauer, M.,
Investigation of important odorants of palm wine (Elaeis guineensis),
Food Chem., 2007, 105, 1, 15-23, https://doi.org/10.1016/j.foodchem.2006.12.052
. [all data]
Viegas and Bassoli, 2007
Viegas, M.C.; Bassoli, D.G.,
Utilizacao do indice de retencao linear para caracterizacao de compostos volateis em cafe soluvel utilizando GC-MS e coluna HP-Innowax,
Quim. Nova, 2007, 30, 8, 2031-2034, https://doi.org/10.1590/S0100-40422007000800040
. [all data]
Bailly, Jerkovic, et al., 2006
Bailly, S.; Jerkovic, V.; Marchand-Brynaert, J.; Collin, S.,
Aroma Extraction Dilution Analysis of Sauternes Wines. Key Role of Polyfunctional Thiols,
J. Agric. Food Chem., 2006, 54, 19, 7227-7234, https://doi.org/10.1021/jf060814k
. [all data]
Buettner and Welle, 2004
Buettner, A.; Welle, F.,
Intra-oral detection of potent odorants using a modified stir-bar sorptive extraction system in combination with HRGC-O, known as the buccal odour screening system (BOSS),
Flavour Fragr. J., 2004, 19, 6, 505-514, https://doi.org/10.1002/ffj.1473
. [all data]
Buettner, 2004
Buettner, A.,
Investigation of potent odorants and afterodor development in two chardonnay wines using the Buccal Odor Screening System (BOSS),
J. Agric. Food Chem., 2004, 52, 8, 2339-2346, https://doi.org/10.1021/jf035322b
. [all data]
Didzbalis, Ritter, et al., 2004
Didzbalis, J.; Ritter, K.A.; Trail, A.C.; Plog, F.J.,
Identification of fruity/fermented odorants in high-temperature-cured roasted peanuts,
J. Agric. Food Chem., 2004, 52, 15, 4828-4833, https://doi.org/10.1021/jf0355250
. [all data]
Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W.,
Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce,
Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6
. [all data]
Martí, Mestres, et al., 2003
Martí, M.P.; Mestres, M.; Sala, C.; Busto, O.; Guasch, J.,
Solid-phase microextraction and gas chromatography olfactometry analysis of successively diluted samples. A new approach of the aroma extract dilution analysis applied to the characterization of wine aroma,
J. Agric. Food Chem., 2003, 51, 27, 7861-7865, https://doi.org/10.1021/jf0345604
. [all data]
Peterson and Reineccius, 2003
Peterson, D.G.; Reineccius, G.A.,
Determination of the aroma impact compounds in heated sweet cream butter,
Flavour Fragr. J., 2003, 18, 4, 320-324, https://doi.org/10.1002/ffj.1228
. [all data]
Qian and Reineccius, 2003
Qian, M.; Reineccius, G.,
Potent aroma compounds in Parmigiano Reggiano cheese studied using a dynamic headspace (purge-trap) method,
Flavour Fragr. J., 2003, 18, 3, 252-259, https://doi.org/10.1002/ffj.1194
. [all data]
Triqui and Bouchriti, 2003
Triqui, R.; Bouchriti, N.,
Freshness assessments of Moroccan sardine (Sardina pilchardus): comparison of overall sensory changes to instrumentally determined volatiles,
J. Agric. Food Chem., 2003, 51, 26, 7540-7546, https://doi.org/10.1021/jf0348166
. [all data]
Rogerson and de Freitas, 2002
Rogerson, F.S.S.; de Freitas, V.A.P.,
Fortification spirit, a contributor to the aroma complexity of port,
J. Food Sci., 2002, 67, 4, 1564-1569, https://doi.org/10.1111/j.1365-2621.2002.tb10323.x
. [all data]
Torrens, 2002
Torrens, J.,
El análisis del aroma aplicado al control de calidad del cava [CS2002 Análisis sensorial (vino)], 2002, retrieved from http://www.percepnet.com/documenta/CS0203.pdf. [all data]
Buettner and Schieberle, 2001
Buettner, A.; Schieberle, P.,
Application of a comparative aroma extract dilution analysis to monitor changes in orange juice aroma compounds during processing,
Am. Chem. Soc. Symp. Ser., 2001, 782, 33-45. [all data]
Mayer and Grosch, 2001
Mayer, F.; Grosch, W.,
Aroma simulation on the basis of the odourant composition of roasted coffee headspace,
Flavour Fragr. J., 2001, 16, 3, 180-190, https://doi.org/10.1002/ffj.975
. [all data]
Zehentbauer and Grosch, 1998
Zehentbauer, G.; Grosch, W.,
Crust aroma of baguettes. I. Key odorants of baguettes prepared in two different ways,
J. Cereal Science, 1998, 28, 1, 81-92, https://doi.org/10.1006/jcrs.1998.0184
. [all data]
Lizárraga-Guerra, Guth, et al., 1997
Lizárraga-Guerra, R.; Guth, H.; López, M.G.,
Identification of the most potent odorants in huitlacoche (Ustilago maydis) and austern pilzen (Pleurotus sp.) by aroma extract dilution analysis and static head-space samples,
J. Agric. Food Chem., 1997, 45, 4, 1329-1332, https://doi.org/10.1021/jf960650f
. [all data]
Patterson and Stevenson, 1995
Patterson, R.L.S.; Stevenson, M.H.,
Irradiation-induced off-odor in chicken and its possible control,
British Poultry Science, 1995, 36, 3, 425-441, https://doi.org/10.1080/00071669508417789
. [all data]
Blank, Stampfli, et al., 1994
Blank, I.; Stampfli, A.; Eisenreich, W.,
Analysis of food flavourings by gas chromatography - olfactometry
in Trends of Flavour Research, Maarse, H.; van der Heij, D.G., ed(s)., 1994, 271-276. [all data]
Guth and Grosch, 1994
Guth, H.; Grosch, W.,
Identification of the character impact odorants of stewed beef juice by instrumental analyses and sensory studies,
J. Agric. Food Chem., 1994, 42, 12, 2862-2866, https://doi.org/10.1021/jf00048a039
. [all data]
Schieberle and Grosch, 1994
Schieberle, P.; Grosch, W.,
Potent odorants of rye bread crust - differences from the crumb and from wheat bread crust,
Z. Lebensm. Unters. Forsch., 1994, 198, 4, 292-296, https://doi.org/10.1007/BF01193177
. [all data]
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]
Blank, Sen, et al., 1992
Blank, I.; Sen, A.; Grosch, W.,
Potent odorants of the roasted powder and brew of Arabica coffee,
Z. Lebensm. Unters Forsch., 1992, 195, 3, 239-245, https://doi.org/10.1007/BF01202802
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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