2-Pentanol
- Formula: C5H12O
- Molecular weight: 88.1482
- IUPAC Standard InChI: InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
- IUPAC Standard InChIKey: JYVLIDXNZAXMDK-UHFFFAOYSA-N
- CAS Registry Number: 6032-29-7
- 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. - Stereoisomers:
- Other names: sec-Amyl alcohol; sec-Pentanol; Methylpropylcarbinol; 1-Methyl-1-butanol; 1-Methylbutanol; 2-Pentyl alcohol; n-C3H7CH(OH)CH3; Pentanol-2; Pentan-2-ol; sec-n-Amyl alcohol; Isoamyl alcohol, secondary; sec-Pentyl alcohol
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Normal alkane 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 | HP-FFAP | HP-FFAP | CP-Wax CB | AT-Wax | VF-Wax MS |
| Column length (m) | 25. | 25. | 30. | 60. | 60. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.50 | 0.50 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 45. | 45. | 50. | 60. | 60. |
| Tend (C) | 220. | 220. | 150. | 280. | 220. |
| Heat rate (K/min) | 15. | 15. | 2. | 4. | 3. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 5. | 25. | |||
| I | 1135. | 1136. | 1124. | 1081. | 1112. |
| Reference | Wanakhachornkrai and Lertsiri, 9999 | Wanakhachornkrai and Lertsiri, 9999 | Alves, da Penha, et al., 2012 | Kiss, Csoka, et al., 2011 | Duarte, Dias, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | RTX-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 50. | 30. | 60. | 30. | 30. |
| Carrier gas | Helium | He | H2 | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.20 | 0.5 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 45. | 40. | 40. | 40. | 40. |
| Tend (C) | 190. | 220. | 230. | 230. | 230. |
| Heat rate (K/min) | 4. | 10. | 4. | 4. | 6. |
| Initial hold (min) | 2. | 5. | 5. | 2. | 2. |
| Final hold (min) | 50. | 10. | 25. | 15. | 15. |
| I | 1123. | 1123. | 1125. | 1114. | 1118. |
| Reference | Soria, Sanz, et al., 2008 | Prososki, Etzel, et al., 2007 | Strohalm, Dregus, et al., 2007 | Fan and Qian, 2006 | Fan and Qian, 2006, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | ZB-Wax | PEG-20M | DB-Wax |
| Column length (m) | 30. | 60. | 30. | 50. | 30. |
| Carrier gas | N2 | Nitrogen | Helium | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.20 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 0.20 | 0.5 |
| Tstart (C) | 40. | 35. | 40. | 40. | 50. |
| Tend (C) | 230. | 235. | 250. | 180. | 200. |
| Heat rate (K/min) | 4. | 2. | 5. | 3. | 3. |
| Initial hold (min) | 2. | 4. | 2. | 5. | 10. |
| Final hold (min) | 5. | 30. | 5. | 30. | 10. |
| I | 1130. | 1142. | 1117. | 1122. | 1138. |
| Reference | Fan and Qian, 2005 | Qian and Wang, 2005 | N/A | Narain, Almeida, et al., 2004 | Alves and Franco, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | HP-FFAP | HP-FFAP | HP-FFAP |
| Column length (m) | 60. | 30. | 25. | 25. | 25. |
| Carrier gas | H2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | 0.52 |
| Tstart (C) | 40. | 40. | 45. | 45. | 60. |
| Tend (C) | 230. | 185. | 220. | 220. | 240. |
| Heat rate (K/min) | 4. | 4. | 15. | 15. | 5. |
| Initial hold (min) | 5. | 4. | 1. | ||
| Final hold (min) | 25. | 20. | 5. | ||
| I | 1121. | 1116. | 1135. | 1136. | 1113. |
| Reference | Dregus and Engel, 2003 | Lee and Noble, 2003 | Wanakhachornkrai and Lertsiri, 2003 | Wanakhachornkrai and Lertsiri, 2003 | Qian and Reineccius, 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Wax | TC-Wax | DB-Wax | HP-Wax | DB-Wax |
| Column length (m) | 60. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.5 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 190. | 230. | 200. | 190. | 200. |
| Heat rate (K/min) | 3. | 3. | 2. | 3. | 2. |
| Initial hold (min) | 6. | 10. | 2. | 6. | 2. |
| Final hold (min) | 10. | ||||
| I | 1130. | 1094. | 1117. | 1130. | 1119. |
| Reference | Sanz, Maeztu, et al., 2002 | Suhardi, Suzuki, et al., 2002 | Umano, Hagi, et al., 2002 | Sanz, Ansorena, et al., 2001 | Umano, Nakahara, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | DB-Wax | Carbowax 20M | DB-Wax | DB-Wax |
| Column length (m) | 60. | 30. | 80. | 60. | |
| Carrier gas | H2 | He | 30 | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.2 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.5 | |||
| Tstart (C) | 35. | 40. | 70. | 50. | 30. |
| Tend (C) | 250. | 210. | 170. | 230. | 240. |
| Heat rate (K/min) | 5. | 3. | 2. | 4. | 50. |
| Initial hold (min) | 5. | 1. | 10. | ||
| Final hold (min) | 20. | 25. | 10. | ||
| I | 1135. | 1120. | 1091. | 1116. | 1100. |
| Reference | Campeanu, Burcea, et al., 1998 | Pollak and Berger, 1996 | Anker, Jurs, et al., 1990 | Binder, Turner, et al., 1990 | Pfannhauser, 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-Wax | Carbowax 20M |
| Column length (m) | 60. | 150. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.64 |
| Phase thickness (μm) | ||
| Tstart (C) | 50. | 50. |
| Tend (C) | 230. | 170. |
| Heat rate (K/min) | 4. | 1. |
| Initial hold (min) | 0.1 | 10. |
| Final hold (min) | 10. | 60. |
| I | 1116. | 1085. |
| Reference | Binder, Flath, et al., 1989 | Seifert and King, 1982 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S.,
Comparison of determination method for volatile compounds in Thai soy sauce,
Analytical, Nutritional and Clinical Methods, 9999, 1-11. [all data]
Alves, da Penha, et al., 2012
Alves, V.C.C.; da Penha, M.F.A.; Pinto, N. deO.F.; Garruti, D. dosS.,
Volatile compounds profile of Musa FHIA 02: an option to counter losses by Black Sigatoka,
Nat. Prod. J., 2012, 5, 55-60. [all data]
Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K.,
Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary,
J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]
Duarte, Dias, et al., 2010
Duarte, W.F.; Dias, D.R.; Oliveira, J.M.; Teixeira, J.A.; de Almeida e Silva, J.B.; Schwan, R.F.,
Characterization of different fruit wines made from cacao,cupuassu, gabiroba, jaboticaba and umbu,
Food Sci. Technol., 2010, 43, 1564-1572. [all data]
Soria, Sanz, et al., 2008
Soria, A.C.; Sanz, J.; Martinez-Castro, I.,
SPME followed by GC-MS: a powerful technique for qualitative analysis of honey volatiles,
Eur. Food Res. Technol., 2008, 1-12. [all data]
Prososki, Etzel, et al., 2007
Prososki, R.A.; Etzel, M.R.; Rankin, S.A.,
Solvent type affects the number, distribution, and relative quantities of volatile compounds found in sweet whey powder,
J. Dairy Sci., 2007, 90, 2, 523-531, https://doi.org/10.3168/jds.S0022-0302(07)71535-7
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Strohalm, Dregus, et al., 2007
Strohalm, H.; Dregus, M.; Wahl, A.; Engel, K.-H.,
Enantioselective analysis of secondary alcohols and their esters in purple and yellow passion fruits,
J. Agric. Food Chem., 2007, 55, 25, 10339-10344, https://doi.org/10.1021/jf072464n
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Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t
. [all data]
Fan and Qian, 2006, 2
Fan, W.; Qian, M.C.,
Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry,
Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621
. [all data]
Fan and Qian, 2005
Fan, W.; Qian, M.C.,
Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
J. Agric. Food Chem., 2005, 53, 20, 7931-7938, https://doi.org/10.1021/jf051011k
. [all data]
Qian and Wang, 2005
Qian, M.C.; Wang, Y.,
Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries,
J. Food. Sci., 2005, 70, 1, c13-c20, https://doi.org/10.1111/j.1365-2621.2005.tb09013.x
. [all data]
Narain, Almeida, et al., 2004
Narain, N.; Almeida, J.N.; Galvão, M.S.; Madruga, M.S.; de Brito, E.S.,
Volatile compounds in passion fruit (Passiflora edulis forma Flavicarpa) and yellow mombin (Spondias mombin L.) fruits obtained by dynamic headspace technique,
Cienc. Tecnol. Aliment. Campinas, 2004, 24, 2, 212-216, https://doi.org/10.1590/S0101-20612004000200009
. [all data]
Alves and Franco, 2003
Alves, G.L.; Franco, M.R.B.,
Headspace gas chromatography-mass spectrometry of volatile compounds in murici (Byrsonima crassifolia L. Rich),
J. Chromatogr. A, 2003, 985, 1-2, 297-301, https://doi.org/10.1016/S0021-9673(02)01398-5
. [all data]
Dregus and Engel, 2003
Dregus, M.; Engel, K.-H.,
Volatile constituents of uncooked Rhubarb (Rheum rhabarbarum L.) stalks,
J. Agric. Food Chem., 2003, 51, 22, 6530-6536, https://doi.org/10.1021/jf030399l
. [all data]
Lee and Noble, 2003
Lee, S.-J.; Noble, A.C.,
Characterization of odor-active compounds in Californian Chardonnay wines using GC-olfactometry and GC-mass spectrometry,
J. Agric. Food Chem., 2003, 51, 27, 8036-8044, https://doi.org/10.1021/jf034747v
. [all data]
Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S.,
Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce,
Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5
. [all data]
Qian and Reineccius, 2002
Qian, M.; Reineccius, G.,
Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry,
J. Dairy Sci., 2002, 85, 6, 1362-1369, https://doi.org/10.3168/jds.S0022-0302(02)74202-1
. [all data]
Sanz, Maeztu, et al., 2002
Sanz, C.; Maeztu, L.; Zapelena, M.J.; Bello, J.; Cid, C.,
Profiles of volatile compounds and sensory analysis of three blends of coffee: influence of different proportions of Arabica and Robusta and influence of roasting coffee with sugar,
J. Sci. Food Agric., 2002, 82, 8, 840-847, https://doi.org/10.1002/jsfa.1110
. [all data]
Suhardi, Suzuki, et al., 2002
Suhardi, S.; Suzuki, M.; Yoshida, K.; Muto, T.; Fujita, A.; Watanbe, N.,
Changes in the volatile compounds and in the chemical and physical properties of snake fruit (Salacca edulis Reinw) Cv. Pondoh during maturation,
J. Agric. Food Chem., 2002, 50, 26, 7627-7633, https://doi.org/10.1021/jf020620e
. [all data]
Umano, Hagi, et al., 2002
Umano, K.; Hagi, Y.; Shibamoto, T.,
Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.),
J. Agric. Food Chem., 2002, 50, 19, 5355-5359, https://doi.org/10.1021/jf0203951
. [all data]
Sanz, Ansorena, et al., 2001
Sanz, C.; Ansorena, D.; Bello, J.; Cid, C.,
Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee,
J. Agric. Food Chem., 2001, 49, 3, 1364-1369, https://doi.org/10.1021/jf001100r
. [all data]
Umano, Nakahara, et al., 1999
Umano, K.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Aroma chemicals isolated and identified from leaves of aloe arborescens Mill. Var. natalensis Berger,
J. Agric. Food Chem., 1999, 47, 9, 3702-3705, https://doi.org/10.1021/jf990116i
. [all data]
Campeanu, Burcea, et al., 1998
Campeanu, G.; Burcea, M.; Doneanu, C.; Namolosanu, I.; Visan, L.,
GC/MS characterization of the volatiles isolated from the wines obtained from the indigenous cultivar Feteasca Regala,
Analusis, 1998, 26, 2, 93-97, https://doi.org/10.1051/analusis:1998117
. [all data]
Pollak and Berger, 1996
Pollak, F.C.; Berger, R.G.,
Geosmin and Related Volatiles in Bioreactor-Cultured Streptomyces citreus CBS 109.60,
Appl. Environ. Microbiol., 1996, 62, 4, 1295-1299. [all data]
Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A.,
Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups,
Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006
. [all data]
Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A.,
Volatile components of purple starthistle,
J. Agric. Food Chem., 1990, 38, 4, 1053-1055, https://doi.org/10.1021/jf00094a030
. [all data]
Pfannhauser, 1990
Pfannhauser, W.,
Fluchtige Verbindungen aus extrudaten von triticale,
Deutsche Lebensmittel-Rundschau, 1990, 86, 3, 69-72. [all data]
Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032
. [all data]
Seifert and King, 1982
Seifert, R.M.; King, A.D., Jr.,
Identification of some volatile constituents of Aspergillus clavatus,
J. Agric. Food Chem., 1982, 30, 4, 786-790, https://doi.org/10.1021/jf00112a044
. [all data]
Notes
Go To: Top, Normal alkane 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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