Butanoic acid, 3-methyl-
- Formula: C5H10O2
- Molecular weight: 102.1317
- IUPAC Standard InChIKey: GWYFCOCPABKNJV-UHFFFAOYSA-N
- CAS Registry Number: 503-74-2
- 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: Isovaleric acid; β-Methylbutyric acid; Acetic acid, isopropyl-; Delphinic acid; Isopentanoic acid; Isopropylacetic acid; 3-Methylbutanoic acid; 3-Methylbutyric acid; iso-C4H9COOH; Butyric acid, 3-methyl-; Isovalerianic acid; Kyselina isovalerova; 3-Methyl-n-butyric acid; NSC 62783; Isobutylformic acid; 3-methylbutanoic acid (isovaleric acid); Methylbutanoic acid
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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 | DB-Wax | Innowax | DB-FFAP | DB-FFAP | FFAP |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | H2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | 0.25 |
Tstart (C) | 50. | 45. | 35. | 35. | 35. |
Tend (C) | 180. | 210. | 225. | 225. | 225. |
Heat rate (K/min) | 3.5 | 3.5 | 4. | 4. | 10. |
Initial hold (min) | 2. | 5. | 5. | 5. | 5. |
Final hold (min) | 25. | 20. | 30. | 30. | 25. |
I | 1680. | 1686. | 1667. | 1666. | 1645. |
Reference | Botelho, Caldeira, et al., 2007 | Botelho, Caldeira, et al., 2007 | Jarunrattanasri, Theerakulkait, et al., 2007 | Jarunrattanasri, Theerakulkait, et al., 2007 | Lozano P.R., Miracle E.R., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | HP-Innowax | DB-FFAP | FFAP | FFAP |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.24 | 0.25 | |
Tstart (C) | 40. | 50. | 40. | 40. | 40. |
Tend (C) | 240. | 220. | 240. | 240. | 240. |
Heat rate (K/min) | 7. | 4. | 6. | 8. | 6. |
Initial hold (min) | 4. | 2. | 2. | 2. | |
Final hold (min) | 5. | 10. | 10. | 5. | 10. |
I | 1679. | 1644. | 1657. | 1660. | 1648. |
Reference | Mahattanatawee K., Perez-Cacho P.R., et al., 2007 | Quijano, Linares, et al., 2007 | Scheidig, Czerny, et al., 2007 | Schlutt B., Moran N., et al., 2007 | Steinhaus and Schieberle, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax | DB-Wax | DB-Wax | DB-Wax | LM-120 |
Column length (m) | 60. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.5 | 0.5 |
Tstart (C) | 40. | 40. | 50. | 40. | 50. |
Tend (C) | 230. | 240. | 220. | 200. | 240. |
Heat rate (K/min) | 4. | 5. | 4. | 5. | 3. |
Initial hold (min) | 4. | 4. | 3. | ||
Final hold (min) | 20. | 10. | 20. | 8. | 30. |
I | 1686. | 1687. | 1647. | 1684. | 1679. |
Reference | Lee, Lee, et al., 2006 | Lopez-Galilea I., Fournier N., et al., 2006 | Osorio, Alarcon, et al., 2006 | Petka, Ferreira, et al., 2006 | Pinto, Guedes, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | OV-351 | Supelcowax-10 | DB-FFAP | Stabilwax |
Column length (m) | 30. | 50. | 60. | 30. | 30. |
Carrier gas | H2 | He | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.2 | 0.25 | 0.25 | 1. |
Tstart (C) | 30. | 60. | 35. | 40. | 40. |
Tend (C) | 230. | 220. | 195. | 230. | 230. |
Heat rate (K/min) | 3. | 5. | 6. | 5. | 4. |
Initial hold (min) | 2. | 5. | 2. | 2. | |
Final hold (min) | 4. | 60. | 6. | 10. | |
I | 1664. | 1638. | 1621. | 1651. | 1691. |
Reference | Schwambach and Peterson, 2006 | Bonvehí, 2005 | Chung, Fung, et al., 2005 | Colahan-Sederstrom and Peterson, 2005 | Fang and Qian, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Carbowax 20M | DB-Wax | DB-Wax | ZB-Wax |
Column length (m) | 60. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | H2 | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 45. | 45. | 40. | 40. | 40. |
Tend (C) | 250. | 250. | 250. | 250. | 250. |
Heat rate (K/min) | 5. | 2. | 5. | 5. | 5. |
Initial hold (min) | 1. | 0.17 | 2. | 2. | 2. |
Final hold (min) | 12. | 5. | 5. | 5. | |
I | 1694. | 1645. | 1676. | 1678. | 1682. |
Reference | Malliaa, Fernandez-Garcia, et al., 2005 | Verzera, Campisi, et al., 2005 | Wu, Zorn, et al., 2005 | Wu, Zorn, et al., 2005 | Wu, Zorn, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | ZB-Wax | ZB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.15 | 0.5 | 0.25 | 0.25 |
Tstart (C) | 40. | 35. | 40. | 40. | 40. |
Tend (C) | 250. | 220. | 230. | 240. | 210. |
Heat rate (K/min) | 5. | 1.8 | 5. | 6. | 2. |
Initial hold (min) | 2. | 10. | 2. | 10. | |
Final hold (min) | 5. | 10. | 10. | 25. | 40. |
I | 1685. | 1675. | 1682. | 1655. | 1647. |
Reference | Wu, Zorn, et al., 2005 | Ledauphin, Saint-Clair, et al., 2004 | Mahajan, Goddik, et al., 2004 | Varming, Petersen, et al., 2004 | Chyau, Ko, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | DB-FFAP | DB-FFAP | Supelcowax-10 | DB-FFAP |
Column length (m) | 30. | 30. | 30. | 30. | 15. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 35. | 35. | 35. | 50. | 30. |
Tend (C) | 200. | 200. | 200. | 230. | 225. |
Heat rate (K/min) | 10. | 10. | 10. | 3. | 10. |
Initial hold (min) | 5. | 5. | 5. | 2. | |
Final hold (min) | 30. | 30. | 30. | 30. | 20. |
I | 1660. | 1661. | 1649. | 1674. | 1653. |
Reference | Karagül-Yüceer, Vlahovich, et al., 2003 | Karagül-Yüceer, Cadwallader, et al., 2002 | Karagül-Yüceer, Cadwallader, et al., 2002 | Moreira, Trugo, et al., 2002 | Zhou, Wintersteen, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | AT-Wax | CP-Wax 52CB | DB-FFAP | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | H2 | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | 1. |
Tstart (C) | 65. | 45. | 40. | 40. | 40. |
Tend (C) | 250. | 250. | 240. | 210. | 210. |
Heat rate (K/min) | 2. | 2. | 5. | 3. | 3. |
Initial hold (min) | 10. | 0.17 | 2. | ||
Final hold (min) | 60. | ||||
I | 1642. | 1645. | 1667. | 1677. | 1680. |
Reference | Pino, Marbot, et al., 2001 | Verzera, Campisi, et al., 2001 | Charles, Martin, et al., 2000 | Moio, Piombino, et al., 2000 | Moio, Piombino, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 30. | 30. | 30. |
Carrier gas | H2 | H2 | H2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 1. | 1. | 1. |
Tstart (C) | 50. | 40. | 40. | 40. | 40. |
Tend (C) | 230. | 200. | 210. | 210. | 210. |
Heat rate (K/min) | 5. | 3. | 3. | 3. | 3. |
Initial hold (min) | 3. | 5. | |||
Final hold (min) | 15. | 60. | |||
I | 1687. | 1667. | 1677. | 1680. | 1677. |
Reference | Stephan and Steinhart, 1999 | Cha, Kim, et al., 1998 | Moio and Addeo, 1998 | Moio and Addeo, 1998 | Moio and Addeo, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | DB-FFAP | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 60. | 60. |
Carrier gas | H2 | H2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.53 | 0.53 |
Phase thickness (μm) | 0.25 | 1. | 1. | ||
Tstart (C) | 40. | 40. | 20. | 20. | 20. |
Tend (C) | 220. | 220. | 200. | 200. | 200. |
Heat rate (K/min) | 3. | 3. | 4. | 4. | 4. |
Initial hold (min) | 5. | 5. | 5. | ||
Final hold (min) | 10. | 10. | 10. | ||
I | 1663. | 1664. | 1667. | 1684. | 1688. |
Reference | Guillard, le Quere, et al., 1997 | Guillard, le Quere, et al., 1997 | Ott, Fay, et al., 1997 | Ott, Fay, et al., 1997 | Ott, Fay, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | Supelcowax-10 | DB-Wax |
Column length (m) | 60. | 60. | 60. | 60. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.53 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 20. | 50. | 50. | 60. | 40. |
Tend (C) | 200. | 230. | 230. | 230. | 200. |
Heat rate (K/min) | 4. | 3. | 3. | 5. | 2. |
Initial hold (min) | 5. | 5. | 10. | ||
Final hold (min) | 10. | 20. | |||
I | 1682. | 1670. | 1673. | 1715. | 1665. |
Reference | Ott, Fay, et al., 1997 | Shimoda, Peralta, et al., 1996 | Shimoda, Wu, et al., 1996 | Granicher, Christen, et al., 1995 | Umano, Hagi, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-Wax | CP-Wax 58CB | Carbowax 20M |
Column length (m) | 30. | 30. | 30. |
Carrier gas | He | He | He |
Substrate | |||
Column diameter (mm) | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.22 | 0.25 |
Tstart (C) | 50. | 40. | 40. |
Tend (C) | 240. | 220. | 240. |
Heat rate (K/min) | 4. | 3. | 4. |
Initial hold (min) | 3. | 3. | |
Final hold (min) | |||
I | 1649. | 1645. | 1643. |
Reference | Krammer, Winterhalter, et al., 1991 | Pabst, Barron, et al., 1991 | Schwab, Mahr, et al., 1989 |
Comment | MSDC-RI | 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.
Botelho, Caldeira, et al., 2007
Botelho, G.; Caldeira, I.; Mendes-Faia, A.; Clímaco, M.C.,
Evaluation of two quantitative gas chromatography-olfactometry methods for clonal red wines differentiation,
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Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
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