Vanillin
- Formula: C8H8O3
- Molecular weight: 152.1473
- IUPAC Standard InChIKey: MWOOGOJBHIARFG-UHFFFAOYSA-N
- CAS Registry Number: 121-33-5
- 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: Benzaldehyde, 4-hydroxy-3-methoxy-; p-Hydroxy-m-methoxybenzaldehyde; Lioxin; Vanillaldehyde; Vanillic aldehyde; 2-Methoxy-4-formylphenol; 3-Methoxy-4-hydroxybenzaldehyde; 4-Formyl-2-methoxyphenol; 4-Hydroxy-3-methoxybenzaldehyde; 4-Hydroxy-5-methoxybenzaldehyde; Vanilla; m-Anisaldehyde, 4-hydroxy-; Protocatechualdehyde, methyl-; Zimco; 4-Hydroxy-m-anisaldehyde; p-Vanillin; m-Methoxy-p-hydroxybenzaldehyde; Methylprotocatechuic aldehyde; Vanilin; NSC 15351; Methylprotcatechuic aldehyde; 4-hydroxy-3-methoxybenzaldehyde (vanillin); vanillin (3-methoxy-4-hydroxy- benzaldehyde); 3-Methoxy-4-hydroxybenzaldehyde (vanillin)
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Normal alkane RI, non-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-5 MS | VF-5 MS | VF-5 MS | HP-5 | HP-5 MS |
Column length (m) | 30. | 60. | 60. | 60. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 30. | 30. | 35. | 70. |
Tend (C) | 300. | 260. | 260. | 220. | 290. |
Heat rate (K/min) | 15. | 2. | 2. | 10. | 5. |
Initial hold (min) | 2. | 1. | |||
Final hold (min) | 10. | 28. | 28. | 15. | 10. |
I | 1447. | 1405. | 1405. | 1412. | 1395. |
Reference | Xu, Han, et al., 2012 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Piyachaiseth, Jirapakkul, et al., 2011 | Radulovic, Dordevic, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | ZB-5 | SE-54 | HP-5 MS | RTX-5 MS | HP-1 |
Column length (m) | 30. | 30. | 30. | 30. | 25. |
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.50 | 0.17 |
Tstart (C) | 40. | 0. | 70. | 35. | 50. |
Tend (C) | 280. | 200. | 290. | 225. | 260. |
Heat rate (K/min) | 6. | 6. | 5. | 6. | 1. |
Initial hold (min) | 1. | 2. | 5. | 5. | |
Final hold (min) | 9. | 10. | 10. | 5. | |
I | 1410. | 1404. | 1405. | 1404. | 1389. |
Reference | Harrison and Priest, 2009 | Laselan, Buettner, et al., 2009 | Radulovic, Blagojevic, et al., 2009 | Watcharananun, Cadwallader, et al., 2009 | Wetwiayaklung, Thavanapong, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | HP-5 | ZB-5 | DB-5 | HP-1 |
Column length (m) | 30. | 30. | 30. | 25. | 50. |
Carrier gas | Helium | Nitrogen | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.33 |
Tstart (C) | 60. | 50. | 60. | 40. | 60. |
Tend (C) | 300. | 280. | 220. | 230. | 250. |
Heat rate (K/min) | 15. | 5. | 4. | 6. | 2. |
Initial hold (min) | 2. | 1. | 5. | 1. | 4. |
Final hold (min) | 10. | 1. | 20. | 30. | |
I | 1447. | 1385. | 1388. | 1405. | 1347. |
Reference | Xu, Han, et al., 2009 | Saidana, Mahjoub, et al., 2008 | Mohottalage, Tabacchi, et al., 2007 | Zeller and Rychlik, 2007 | Castel, Fernandez, et al., 2006 |
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 | DB-5 | DB-5 |
Column length (m) | 50. | 50. | 50. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.2 | 0.2 | 0.32 | 0.32 |
Phase thickness (μm) | 0.33 | 0.5 | 0.33 | ||
Tstart (C) | 60. | 60. | 60. | 60. | 50. |
Tend (C) | 250. | 250. | 250. | 250. | 250. |
Heat rate (K/min) | 2. | 2. | 2. | 4. | 4. |
Initial hold (min) | 4. | 4. | 5. | 5. | |
Final hold (min) | 30. | 120. | 30. | ||
I | 1347. | 1350. | 1350. | 1394. | 1394. |
Reference | Castel, Fernandez, et al., 2006 | Castel, Fernandez, et al., 2006, 2 | Castel, Fernandez, et al., 2006, 2 | Fadel, Mageed, et al., 2006 | Fadel, Mageed, et al., 2006, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-5 | DB-5 | SPB-5 |
Column length (m) | 30. | 30. | 13.5 | 50. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.3 | 0.53 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 60. | 60. | 35. | 60. | 100. |
Tend (C) | 240. | 240. | 225. | 240. | 250. |
Heat rate (K/min) | 5. | 5. | 6. | 2. | 5. |
Initial hold (min) | 2. | 2. | 3. | ||
Final hold (min) | |||||
I | 1391. | 1391. | 1407. | 1392. | 1439. |
Reference | Gohari, Hadjiakhoondi, et al., 2006 | Gohari A.R., Hadjiakhoondi A., et al., 2006 | de Souza, Vásquez, et al., 2006 | Chagonda and Chalchat, 2005 | Kilic, Kollmannsberger, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | BP-1 | SE-54 | SE-54 | DB-5 |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | N2 | He | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.053 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.5 | |
Tstart (C) | 30. | 60. | 60. | 100. | 60. |
Tend (C) | 260. | 220. | 260. | 250. | 240. |
Heat rate (K/min) | 2. | 5. | 2. | 5. | 2. |
Initial hold (min) | 2. | 5. | |||
Final hold (min) | 28. | 15. | 999. | ||
I | 1402.9 | 1386. | 1392. | 1430. | 1443. |
Reference | Leffingwell and Alford, 2005 | Srivastava, Srivastava, et al., 2005 | Kilic, Hafizoglu, et al., 2004 | Kilic, Hafizoglu, et al., 2004 | Miyazawa, Fuhita, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | RTX-5Sil | OV-101 | HP-5MS | DB-5 |
Column length (m) | 50. | 30. | 12. | 30. | 30. |
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.32 | 0.25 | ||
Tstart (C) | 60. | 70. | 35. | 60. | 50. |
Tend (C) | 240. | 200. | 225. | 275. | 280. |
Heat rate (K/min) | 2. | 4. | 6. | 4. | 15. |
Initial hold (min) | 3. | 1. | |||
Final hold (min) | 999. | 10. | |||
I | 1443. | 1392. | 1350. | 1397. | 1420. |
Reference | Miyazawa, Fujita, et al., 2004 | Dudai, Larkov, et al., 2003 | Murakami, Goldstein, et al., 2003 | Sadraei, Ghannadi, et al., 2003 | Sasaerila, Gries, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-5 | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
Tstart (C) | 40. | 40. | 40. | 40. | 35. |
Tend (C) | 230. | 230. | 290. | 230. | 275. |
Heat rate (K/min) | 6. | 6. | 7. | 6. | 6. |
Initial hold (min) | 2. | 2. | 2. | ||
Final hold (min) | 10. | 10. | 5. | ||
I | 1410. | 1410. | 1406. | 1425. | 1404. |
Reference | Czerny and Schieberle, 2002 | Czerny and Schieberle, 2002 | Lin, Rouseff, et al., 2002 | Sanz, Czerny, et al., 2002 | Rouseff, Jella, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-5 | Methyl Silicone | DB-1 |
Column length (m) | 30. | 30. | 30. | 50. | 60. |
Carrier gas | He | H2 | H2 | H2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.5 | |
Tstart (C) | 40. | 60. | 60. | 40. | 30. |
Tend (C) | 230. | 245. | 245. | 260. | 200. |
Heat rate (K/min) | 6. | 3. | 3. | 4. | 4. |
Initial hold (min) | 2. | 3. | 3. | 0.5 | 25. |
Final hold (min) | 5. | 20. | 20. | 30. | |
I | 1412. | 1412. | 1412. | 1354. | 1349. |
Reference | Czerny and Grosch, 2000 | Kotseridis and Baumes, 2000 | Kotseridis and Baumes, 2000 | Vendramini and Trugo, 2000 | Buttery, Orts, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Optima 1 | DB-1 | DB-1 | OV-101 | DB-1 |
Column length (m) | 25. | 60. | 60. | 50. | 30. |
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 1.0 | |||
Tstart (C) | 50. | 30. | 30. | 80. | 40. |
Tend (C) | 200. | 200. | 200. | 200. | 250. |
Heat rate (K/min) | 3. | 4. | 4. | 2. | 3. |
Initial hold (min) | 25. | 25. | |||
Final hold (min) | 20. | 20. | 30. | ||
I | 1391. | 1349. | 1349. | 1392. | 1355. |
Reference | Fons, Rapior, et al., 1998 | Buttery, Ling, et al., 1997 | Buttery and Ling, 1995 | Egolf and Jurs, 1993 | Peppard, 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Packed | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-1 | SE-54 | HP-5 | HP-5 |
Column length (m) | 30. | 3. | 50. | 50. |
Carrier gas | He | H2 | H2 | |
Substrate | Chromosorb G AW DMCS (100-120 mesh) | |||
Column diameter (mm) | 0.25 | 0.3 | 0.3 | |
Phase thickness (μm) | 1.0 | |||
Tstart (C) | 40. | 50. | 80. | 80. |
Tend (C) | 250. | 230. | 250. | 250. |
Heat rate (K/min) | 3. | 6. | 16. | 16. |
Initial hold (min) | 2. | |||
Final hold (min) | 30. | 10. | ||
I | 1392. | 1403. | 1392. | 1412. |
Reference | Peppard, 1992 | Schieberle, 1991 | Spadone, Takeoka, et al., 1990 | Spadone, Takeoka, et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Xu, Han, et al., 2012
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K.,
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Notes
Go To: Top, Normal alkane RI, non-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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