2-Propen-1-ol
- Formula: C3H6O
- Molecular weight: 58.0791
- IUPAC Standard InChIKey: XXROGKLTLUQVRX-UHFFFAOYSA-N
- CAS Registry Number: 107-18-6
- 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: Allyl alcohol; Allylic alcohol; Shell Unkrauttod A; Vinylcarbinol; 1-Propen-3-ol; 2-Propenol; 2-Propenyl alcohol; 3-Hydroxypropene; CH2=CHCH2OH; Propen-1-ol-3; Alcool allylique; Allilowy alkohol; Allyl al; Allylalkohol; Propenyl alcohol; Weed drench; 1-Propenol-3; AA; Alcool allilco; 2-Propene-1-ol; Rcra waste number P005; Shell unkrautted A; UN 1098; 3-Hydroxy-1-propene; 1-Propenol-3-ol; Propenol-3; 1-Hydroxy-2-propene; prop-2-en-1-ol; NSC 6526; 2-propen-1-ol (allyl alcohol)
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Van Den Dool and Kratz 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 | ZB-Wax | DB-Wax | ZB-Wax | Supelcowax-10 | DB-Wax |
Column length (m) | 60. | 60. | 30. | 60. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.15 | 0.25 | 0.25 |
Tstart (C) | 60. | 45. | 35. | 35. | 40. |
Tend (C) | 240. | 250. | 220. | 195. | 200. |
Heat rate (K/min) | 3. | 5. | 1.8 | 2. | 3. |
Initial hold (min) | 1. | 10. | 5. | 5. | |
Final hold (min) | 12. | 10. | 90. | 60. | |
I | 1109. | 1136. | 1116. | 1116. | 1109. |
Reference | Herbrand K., Hammerschmidt F.J., et al., 2007 | Malliaa, Fernandez-Garcia, et al., 2005 | Ledauphin, Saint-Clair, et al., 2004 | Chung, 1999 | Cha, Kim, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | CP-Wax 52CB | CP-Wax 52CB | CP-Wax 52CB | CP-Wax 52CB |
Column length (m) | 50. | 50. | 50. | 50. | 50. |
Carrier gas | N2 | N2 | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.22 | 0.22 |
Phase thickness (μm) | |||||
Tstart (C) | 60. | 60. | 50. | 50. | 50. |
Tend (C) | 200. | 200. | 200. | 200. | 200. |
Heat rate (K/min) | 2. | 2. | 2. | 2. | 2. |
Initial hold (min) | 4. | 4. | |||
Final hold (min) | 30. | 30. | |||
I | 1109. | 1107. | 1125. | 1125. | 1125. |
Reference | Kim, Wu, et al., 1995 | Kim, Wu, et al., 1995 | Yu, Wu, et al., 1989 | Yu, Wu, et al., 1989, 2 | Yu and Wu, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | CP-WAX 57CB | OV-351 |
Column length (m) | 50. | 25. |
Carrier gas | He | N2 |
Substrate | ||
Column diameter (mm) | 0.24 | 0.32 |
Phase thickness (μm) | ||
Tstart (C) | 50. | 50. |
Tend (C) | 210. | |
Heat rate (K/min) | 2. | 6. |
Initial hold (min) | 5. | |
Final hold (min) | ||
I | 1100. | 1097. |
Reference | Baltes and Mevissen, 1988 | Korhonen, 1984 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Herbrand K., Hammerschmidt F.J., et al., 2007
Herbrand K.; Hammerschmidt F.J.; Brennecke S.; Liebig M.; Losing G.; Schmidt C.O.; Gatfield I.; Krammer G.; Bertram H.J.,
Identification of allyl esters in garlic cheese,
J. Agric. Food Chem., 2007, 55, 19, 7874-7878, https://doi.org/10.1021/jf0713096
. [all data]
Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O.,
Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses,
Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007
. [all data]
Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y
. [all data]
Chung, 1999
Chung, H.Y.,
Volatile components in crabmeats of Charybdis feriatus,
J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t
. [all data]
Cha, Kim, et al., 1998
Cha, Y.J.; Kim, H.; Cadwallader, K.R.,
Aroma-active compounds in Kimchi during fermentation,
J. Agric. Food Chem., 1998, 46, 5, 1944-1953, https://doi.org/10.1021/jf9706991
. [all data]
Kim, Wu, et al., 1995
Kim, S.M.; Wu, C.M.; Kubota, K.; Kobayashi, A.,
Effect of soybean oil on garlic volatile compounds isoalted by distillation,
J. Agric. Food Chem., 1995, 43, 2, 449-452, https://doi.org/10.1021/jf00050a036
. [all data]
Yu, Wu, et al., 1989
Yu, T.-H.; Wu, C.-M.; Liou, Y.-C.,
Volatile compounds from garlic,
J. Agric. Food Chem., 1989, 37, 3, 725-730, https://doi.org/10.1021/jf00087a032
. [all data]
Yu, Wu, et al., 1989, 2
Yu, T.-H.; Wu, C.-M.; Chen, S.-Y.,
Effects of pH adjustment and heat treatment on the stability and the formation of volatile compounds of garlic,
J. Agric. Food Chem., 1989, 37, 3, 730-734, https://doi.org/10.1021/jf00087a033
. [all data]
Yu and Wu, 1989
Yu, T.-H.; Wu, C.-M.,
Stability of Allicin in Garlic Juice,
J. Food Sci., 1989, 54, 4, 977-981, https://doi.org/10.1111/j.1365-2621.1989.tb07926.x
. [all data]
Baltes and Mevissen, 1988
Baltes, W.; Mevissen, L.,
Model reactions on roast aroma formation. VI. Volatile reaction products from the reaction of phenylalanine with glucose during cooking and roasting,
Z. Lebensm. Unters. Forsch., 1988, 187, 3, 209-214, https://doi.org/10.1007/BF01043341
. [all data]
Korhonen, 1984
Korhonen, I.O.O.,
Gas-Liquid Chromatographic Analyses. XXVI. Separation of Unsaturated Alcohols and Their Acetyl and Haloacetyl Derivatives on Capillary Columns Coated with SE-30 and OV-351,
J. Chromatogr., 1984, 288, 329-346, https://doi.org/10.1016/S0021-9673(01)93710-0
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
- 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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