Butanal
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChIKey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
- CAS Registry Number: 123-72-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Butyraldehyde; n-Butanal; n-Butyl aldehyde; n-Butyraldehyde; Butal; Butaldehyde; Butanaldehyde; Butyl aldehyde; Butyral; Butyric aldehyde; Butyrylaldehyde; n-C3H7CHO; Aldehyde butyrique; Aldeide butirrica; Butalyde; Butyraldehyd; NCI-C56291; UN 1129; 1-Butanal; Butan-1-al; NSC 62779
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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 | HP-Innowax | DB-Wax | DB-Wax | Supelcowax 10 | Supelcowax-10 |
Column length (m) | 60. | 60. | 30. | 50. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 0.25 | 0.25 |
Program | not specified | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | not specified | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) |
I | 891. | 861. | 866. | 861. | 878. |
Reference | Feng, Zhuang, et al., 2011 | Miyazaki, Plotto, et al., 2011 | Rochat, Egger, et al., 2009 | Soria, Martinez-Castro, et al., 2008 | Berard, Bianchi, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | HP-Innowax | HP-Innowax | DB-Wax | Innowax |
Column length (m) | 30. | 60. | 60. | 60. | |
Carrier gas | He | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) | 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) | not specified | 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min) | not specified |
I | 880. | 859. | 867. | 837. | 895. |
Reference | Berard, Bianchi, et al., 2007 | Viegas and Bassoli, 2007 | Viegas and Bassoli, 2007 | Mattheis, Fan, et al., 2005 | Junkes, Amboni, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Carbowax 20M | DB-Wax | CP-Wax 52CB | Supelcowax 10 |
Column length (m) | 60. | 60. | 50. | 60. | |
Carrier gas | Helium | He | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.5 | 1.2 | 0.25 | |
Program | 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C | not specified | 35C(4min) => 2C/min => 130C => 4C/min => 250C | 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min) | 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) |
I | 877. | 865. | 832. | 885. | 875. |
Reference | Kim. J.H., Ahn, et al., 2004 | Vinogradov, 2004 | Qian and Reineccius, 2003 | Muresan, Eillebrecht, et al., 2000 | Castioni and Kapetanidis, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | Supelcowax 10 | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | |
Carrier gas | Helium | He | |
Substrate | |||
Column diameter (mm) | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | |
Program | not specified | 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) | not specified |
I | 880. | 898. | 910. |
Reference | Castioni and Kapetanidis, 1996 | Mattheis, Buchanan, et al., 1992 | Peng, Yang, et al., 1991 |
Comment | 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.
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,
Sensors and Actuators B: Chemical, 2011, 160, 1, 964-973, https://doi.org/10.1016/j.snb.2011.09.013
. [all data]
Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205
. [all data]
Rochat, Egger, et al., 2009
Rochat, S.; Egger, J.; Chaintreau, A.,
Strategy for the identification of key odorants: application to shrimp aroma,
J. Chromatogr. A, 2009, 1216, 36, 6424-6432, https://doi.org/10.1016/j.chroma.2009.07.014
. [all data]
Soria, Martinez-Castro, et al., 2008
Soria, A.C.; Martinez-Castro, I.; Sanz, J.,
Some aspects of dynamic headspace analysis of volatile components in honey,
Foog Res. International, 2008, 41, 8, 838-848, https://doi.org/10.1016/j.foodres.2008.07.010
. [all data]
Berard, Bianchi, et al., 2007
Berard, J.; Bianchi, F.; Careri, M.; Chatel, A.; Mangia, A.; Musci, M.,
Characterization of the volatile fraction and of free fatty acids of Fontina Valle d'Aosta, a protected designation of origin Italian cheese,
Food Chem., 2007, 105, 1, 293-300, https://doi.org/10.1016/j.foodchem.2006.11.041
. [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]
Mattheis, Fan, et al., 2005
Mattheis, J.P.; Fan, X.; Argenta, L.C.,
Interactive Responses of Gala Apple Fruit Volatile Production to Controlled Atmosphere Storage and Chemical Inhibition of Ethylene Action,
J. Agric. Food Chem., 2005, 53, 11, 4510-4516, https://doi.org/10.1021/jf050121o
. [all data]
Junkes, Amboni, et al., 2004
Junkes, B.S.; Amboni, R.D.M.C.; Yunes, R.A.; Heinzen, V.E.F.,
Application of the semi-empirical topological index in quantitative structure-chromatographic retention relationship (QSRR) studies of aliphatic ketones and aldehydes on stationary phases of different polarity,
J. Braz. Chem. Soc., 2004, 15, 2, 183-189, https://doi.org/10.1590/S0103-50532004000200005
. [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]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [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]
Muresan, Eillebrecht, et al., 2000
Muresan, S.; Eillebrecht, M.A.J.L.; de Rijk, T.C.; de Jonge, H.G.; Leguijt, T.; Nijhuis, H.H.,
Aroma profile development of intermediate chocolate products. I. Volatile constituents of block-milk,
Food Chem., 2000, 68, 2, 167-174, https://doi.org/10.1016/S0308-8146(99)00171-5
. [all data]
Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I.,
Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS,
Scientia Pharmaceutica, 1996, 64, 83-91. [all data]
Mattheis, Buchanan, et al., 1992
Mattheis, J.P.; Buchanan, D.A.; Fellman, J.K.,
Volatile compounds emitted by sweet cherries (Prunus avium Cv. Bing) during fruit development and ripening,
J. Agric. Food Chem., 1992, 40, 3, 471-474, https://doi.org/10.1021/jf00015a022
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [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
- 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.
- Customer support for NIST Standard Reference Data products.