3-Pentanol
- Formula: C5H12O
- Molecular weight: 88.1482
- IUPAC Standard InChIKey: AQIXEPGDORPWBJ-UHFFFAOYSA-N
- CAS Registry Number: 584-02-1
- 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: Diethyl carbinol; 3-Pentyl alcohol; (C2H5)2CHOH; Pentan-3-ol; sec-Amyl alcohol; Pentanol-3; UN 2706; Isoamyl alcohol; 1-Ethyl-1-propanol; NSC 8654; sec-Pentanol; 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 | DB-Wax | DB-Wax | BP-20 | ZB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 30. | 30. | 60. |
Carrier gas | Helium | Helium | He | Helium | H2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 30. | 30. | 70. | 40. | 40. |
Tend (C) | 200. | 200. | 220. | 250. | 230. |
Heat rate (K/min) | 2. | 2. | 4. | 5. | 4. |
Initial hold (min) | 4. | 4. | 4. | 2. | 5. |
Final hold (min) | 30. | 30. | 5. | 5. | 25. |
I | 1103. | 1111. | 1116. | 1093. | 1101. |
Reference | Beck, Higbee, et al., 2008 | Beck, Higbee, et al., 2008 | Rawat, Gulati, et al., 2007 | N/A | Dregus and Engel, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Supelcowax-10 | DB-Wax | Supelcowax-10 | DB-Wax |
Column length (m) | 30. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | He | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
Tstart (C) | 50. | 35. | 40. | 35. | 60. |
Tend (C) | 220. | 200. | 200. | 250. | 220. |
Heat rate (K/min) | 4. | 4. | 2. | 5. | 3. |
Initial hold (min) | 3. | 10. | 2. | 5. | |
Final hold (min) | 20. | ||||
I | 1110. | 1128. | 1109. | 1120. | 1111. |
Reference | Weckerle, Bastl-Borrmann, et al., 2001 | Girard and Durance, 2000 | Umano, Nakahara, et al., 1999 | Campeanu, Burcea, et al., 1998 | Werkhoff, Güntert, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Supelcowax-10 | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
Carrier gas | He | He | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 20. | 50. | 40. | 50. | 30. |
Tend (C) | 200. | 200. | 200. | 230. | 180. |
Heat rate (K/min) | 4. | 4. | 3. | 4. | 2. |
Initial hold (min) | 4. | 4. | 3. | 0.1 | 2. |
Final hold (min) | 10. | 10. | 30. | 10. | |
I | 1106. | 1108. | 1109. | 1104. | 1112. |
Reference | Morales, Albarracín, et al., 1996 | Morales, Albarracín, et al., 1996 | Wong and Lai, 1996 | Binder, Flath, et al., 1989 | Takeoka, Flath, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-Wax |
Column length (m) | 60. |
Carrier gas | H2 |
Substrate | |
Column diameter (mm) | 0.25 |
Phase thickness (μm) | 0.25 |
Tstart (C) | 30. |
Tend (C) | 180. |
Heat rate (K/min) | 2. |
Initial hold (min) | 2. |
Final hold (min) | |
I | 1112. |
Reference | Takeoka, Flath, et al., 1988 |
Comment | 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.
Beck, Higbee, et al., 2008
Beck, J.J.; Higbee, B.S.; Marrill, G.B.; Roitman, J.N.,
Comparison of volatile emissions from undamaged and mechanically damaged almonds,
J, Sci. Food Argic., 2008, 88, 8, 1363-1368, https://doi.org/10.1002/jsfa.3224
. [all data]
Rawat, Gulati, et al., 2007
Rawat, R.; Gulati, A.; Babu, G.D.K.; Acharya, R.; Kaul, V.K.; Singh, B.,
Characterization of volatile components of Kangra orthodox black tea by gas chromatography-mass spectrometry,
Food Chem., 2007, 105, 1, 229-235, https://doi.org/10.1016/j.foodchem.2007.03.071
. [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]
Weckerle, Bastl-Borrmann, et al., 2001
Weckerle, B.; Bastl-Borrmann, R.; Richling, E.; Hör, K.; Ruff, C.; Schreier, P.,
Cactus pear (Opuntia ficus indica) flavour constituents - chiral evaluation (MDGC-MS) and isotope ratio (HRGC-IRMS) analysis,
Flavour Fragr. J., 2001, 16, 5, 360-363, https://doi.org/10.1002/ffj.1012
. [all data]
Girard and Durance, 2000
Girard, B.; Durance, T.,
Headspace volatiles of sockeye and pink salmon as affected by retort process,
Food Chem. Toxicol., 2000, 65, 1, 34-39. [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]
Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s
. [all data]
Morales, Albarracín, et al., 1996
Morales, A.L.; Albarracín, D.; Rodríguez, J.; Duque, C.; Riaño, L.E.; Espitia, J.,
Volatile constituents from Andes berry (Rubus glaucus Benth),
J. Hi. Res. Chromatogr., 1996, 19, 10, 585-587, https://doi.org/10.1002/jhrc.1240191011
. [all data]
Wong and Lai, 1996
Wong, K.C.; Lai, F.Y.,
Volatile constituents from the fruits of four Syzygium species grown in Malaysia,
Flavour Fragr. J., 1996, 11, 1, 61-66, https://doi.org/10.1002/(SICI)1099-1026(199601)11:1<61::AID-FFJ539>3.0.CO;2-1
. [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]
Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W.,
Nectarine volatiles: vacuum steam distillation versus headspace sampling,
J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037
. [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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