Butanal, 3-methyl-
- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChI: InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
- IUPAC Standard InChIKey: YGHRJJRRZDOVPD-UHFFFAOYSA-N
- CAS Registry Number: 590-86-3
- 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: Isovaleraldehyde; β-Methylbutanal; Isopentanal; Isovaleral; Isovaleric aldehyde; Isovalerylaldehyde; 3-Methylbutan-1-al; 3-Methylbutanal; 3-Methylbutyraldehyde; iso-C4H9CHO; Butyraldehyde, 3-methyl-; Isoamylaldehyde; Isopentaldehyde; 1-Butanal, 3-methyl-; 2-Methylbutanal-4; 3-Methyl-1-butanal; NSC 404119
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Kovats' RI, non-polar column, isothermal
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-1 | HP-1 | HP-1 | HP-1 | HP-1 |
| Column length (m) | 50. | 50. | 50. | 50. | 50. |
| Carrier gas | |||||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 1.05 | 1.05 | 1.05 | 1.05 | 1.05 |
| Temperature (C) | 110. | 30. | 50. | 70. | 90. |
| I | 639.23 | 633.83 | 634.98 | 636.40 | 637.46 |
| Reference | Héberger, Görgényi, et al., 2002 | Héberger, Görgényi, et al., 2002 | Héberger, Görgényi, et al., 2002 | Héberger, Görgényi, et al., 2002 | Héberger, Görgényi, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-1 | HP-1 | HP-1 | HP-1 | OV-101 |
| Column length (m) | 50. | 50. | 50. | 50. | 20. |
| Carrier gas | N2 | N2 | N2 | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.5 |
| Phase thickness (μm) | 1.05 | 1.05 | 1.05 | 1.05 | |
| Temperature (C) | 110. | 50. | 70. | 90. | 150. |
| I | 639. | 635. | 636. | 638. | 636.1 |
| Reference | Héberger and Görgényi, 1999 | Héberger and Görgényi, 1999 | Héberger and Görgényi, 1999 | Héberger and Görgényi, 1999 | Cha and Lee, 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Packed | Packed | Packed | Packed |
|---|---|---|---|---|---|
| Active phase | OV-101 | Apiezon L | Apiezon L | DC-200 | SE-30 |
| Column length (m) | 20. | 4. | 6. | ||
| Carrier gas | He | ||||
| Substrate | Celite 545 | Celite 545 | Celite | Chromosorb P | |
| Column diameter (mm) | 0.5 | ||||
| Phase thickness (μm) | |||||
| Temperature (C) | 180. | 120. | 160. | 120. | 80. |
| I | 649.6 | 623. | 631. | 640. | 645. |
| Reference | Cha and Lee, 1994 | Bogoslovsky, Anvaer, et al., 1978 | Bogoslovsky, Anvaer, et al., 1978 | Reymond, Mueggler-Chavan, et al., 1966 | Viani, Müggler-Chavan, et al., 1965 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, 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
. [all data]
Cha and Lee, 1994
Cha, K.-W.; Lee, D.-J.,
Prediction of retention indices of various compounds in gas-liquid chromatography,
J. Korean Chem. Soc., 1994, 38, 2, 108-120, retrieved from http://journal.kcsnet.or.kr/publi/dh/dh94n2/108.pdf. [all data]
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]
Reymond, Mueggler-Chavan, et al., 1966
Reymond, D.; Mueggler-Chavan, F.; Viani, R.; Vuataz, L.; Egli, R.H.,
Gas chromatographic analysis of steam volatile aroma constituents: application to coffee, tea and cocoa aromas,
J. Gas Chromatogr., 1966, 4, 1, 28-31, https://doi.org/10.1093/chromsci/4.1.28
. [all data]
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
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
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