1-Butanol, 3-methyl-, acetate
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChI: InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
- IUPAC Standard InChIKey: MLFHJEHSLIIPHL-UHFFFAOYSA-N
- CAS Registry Number: 123-92-2
- 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: Isopentyl alcohol, acetate; Acetic acid, 3-methylbutyl ester; Banana oil; Isoamyl acetate; Isoamyl ethanoate; Isopentyl acetate; Pear oil; 3-Methyl-1-butyl acetate; 3-Methylbutyl acetate; CH3C(O)O(CH2)2CH(CH3)2; Isopentyl ethanoate; 3-Methyl-1-butanol acetate; 3-Methylbutyl ethanoate; Acetic acid, isopentyl ester; 2-Methylbutyl ethanoate; Isoamylester kyseliny octove; i-Amyl acetate; 3-Methylbutyl ester of acetic acid; β-Methyl butyl acetate; 3-Methyl butyl ester acetic acid; Amyl acetate ester; Amyl acetate, common; Isopentyl ester acetic acid; Acetic acid, isoamyl ester; 3-Methyl-1-butanyl acetate; 3-methyl-but-1-yl acetate; 1-Butanol, 3-methyl-, 1-acetate; NSC 9260; Isopentyl alcohol, acetate pear oil; Jargonelle pear essence; 3-methyl-1-butyl acetate (isoamyl acetate)
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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 | CP-Wax CB | VF-Wax MS | DB-Wax | CP-Wax 57 CB | DB-Wax |
| Column length (m) | 30. | 60. | 30. | 50. | 30. |
| Carrier gas | Helium | Helium | Helium | Hydrogen | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.20 | 0.25 |
| Tstart (C) | 50. | 60. | 35. | 40. | |
| Tend (C) | 150. | 220. | 240. | 150. | 180. |
| Heat rate (K/min) | 2. | 3. | 6. | 4. | 3.5 |
| Initial hold (min) | 5. | 5. | 10. | ||
| Final hold (min) | 5. | 25. | 5. | 17.5 | 30. |
| I | 1122. | 1125. | 1116. | 1112. | 1140. |
| Reference | Alves, da Penha, et al., 2012 | Duarte, Dias, et al., 2010 | Mallia, Escher, et al., 2009 | Callejon, Morales, et al., 2008 | Caldeira, de Sousa, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | Helium | He | He | N2 | 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) | 50. | 30. | 40. | 70. | 40. |
| Tend (C) | 240. | 210. | 230. | 230. | 230. |
| Heat rate (K/min) | 15. | 5. | 4. | 2. | 4. |
| Initial hold (min) | 10. | 2. | 2. | 2. | |
| Final hold (min) | 19. | 5. | 20. | 15. | |
| I | 1147. | 1111. | 1102. | 1137. | 1102. |
| Reference | Charoensiddhi and Anprung, 2008 | Kumazawa, Itobe, et al., 2008 | Xu, Fan, et al., 2007 | Choi, 2006 | Fan and Qian, 2006 |
| 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-Innowax | DB-Wax | HP-Innowax |
| Column length (m) | 30. | 15. | 30. | 30. | 30. |
| Carrier gas | N2 | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 230. | 230. | 200. | 230. | 240. |
| Heat rate (K/min) | 6. | 6. | 2. | 4. | 5. |
| Initial hold (min) | 2. | 3. | 2. | 5. | |
| Final hold (min) | 15. | 20. | 15. | 5. | 15. |
| I | 1124. | 1129. | 1105. | 1128. | 1103. |
| Reference | Fan and Qian, 2006, 2 | Kishimoto, Wanikawa, et al., 2006 | Komes, Ulrich, et al., 2006 | Fan and Qian, 2005 | Isogai, Utsunomiya, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | PEG-20M | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 50. | 30. | 30. | 30. |
| Carrier gas | H2 | H2 | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.20 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.20 | 0.5 | 0.25 | 0.5 |
| Tstart (C) | 40. | 40. | 50. | 40. | 40. |
| Tend (C) | 200. | 180. | 200. | 185. | 200. |
| Heat rate (K/min) | 4. | 3. | 3. | 4. | 4. |
| Initial hold (min) | 5. | 5. | 10. | 4. | 5. |
| Final hold (min) | 30. | 10. | 20. | ||
| I | 1147. | 1110. | 1133. | 1118. | 1134. |
| Reference | Culleré, Escudero, et al., 2004 | Narain, Almeida, et al., 2004 | Alves and Franco, 2003 | Lee and Noble, 2003 | López, Ortín, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | Supelcowax-10 | DB-Wax | FFAP | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | H2 | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 1. | 0.5 |
| Tstart (C) | 40. | 40. | 40. | 35. | 40. |
| Tend (C) | 200. | 200. | 200. | 240. | 200. |
| Heat rate (K/min) | 3. | 3. | 4. | 5. | 4. |
| Initial hold (min) | 10. | 10. | 5. | 3. | 5. |
| Final hold (min) | 60. | ||||
| I | 1120. | 1118. | 1130. | 1128. | 1132. |
| Reference | Vichi, Castellote, et al., 2003 | Vichi, Pizzale, et al., 2003 | Ferreira, Ortín, et al., 2002 | Lecanu, Ducruet, et al., 2002 | Ferreira, Aznar, et al., 2001 |
| 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 | Carbowax 20M | Supelcowax-10 |
| Column length (m) | 60. | 60. | 30. | 60. | 60. |
| Carrier gas | He | He | H2 | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | 0.5 |
| Tstart (C) | 40. | 60. | 60. | 40. | 35. |
| Tend (C) | 200. | 280. | 245. | 190. | 250. |
| Heat rate (K/min) | 2. | 4. | 3. | 2. | 5. |
| Initial hold (min) | 3. | 5. | 5. | ||
| Final hold (min) | 20. | 20. | |||
| I | 1112. | 1108. | 1143. | 1128. | 1142. |
| Reference | Wei, Mura, et al., 2001 | Korány, Mednyánszky, et al., 2000 | Kotseridis and Baumes, 2000 | Lopez, Ferreira, et al., 1999 | Campeanu, Burcea, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M | HP-Innowax | HP-Innowax | DB-Wax |
| Column length (m) | 60. | 60. | 25. | 25. | 60. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.5 | |||
| Tstart (C) | 40. | 40. | 35. | 35. | 50. |
| Tend (C) | 190. | 190. | 250. | 250. | 200. |
| Heat rate (K/min) | 2. | 2. | 4. | 4. | 3. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 40. | ||||
| I | 1128. | 1128. | 1101. | 1101. | 1130. |
| Reference | Ferreira, Ardanuy, et al., 1998 | Ferreira, Lopez, et al., 1998 | Ong and Acree, 1998 | Ong, Acree, et al., 1998 | Wada and Shibamoto, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | Carbowax 20M | Carbowax 20M | DB-Wax | DB-Wax |
| Column length (m) | 60. | 80. | 80. | 60. | 60. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.2 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 40. | 70. | 70. | 30. | 30. |
| Tend (C) | 200. | 170. | 170. | 180. | 180. |
| Heat rate (K/min) | 3. | 2. | 2. | 2. | 2. |
| Initial hold (min) | 3. | 4. | 4. | ||
| Final hold (min) | 30. | ||||
| I | 1140. | 1110. | 1110. | 1118. | 1118. |
| Reference | Wong and Lai, 1996 | Egolf and Jurs, 1993 | Anker, Jurs, et al., 1990 | Takeoka and Butter, 1989 | Takeoka and Butter, 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-Wax | DB-Wax |
| Column length (m) | 60. | 60. |
| Carrier gas | H2 | H2 |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 30. | 30. |
| Tend (C) | 180. | 180. |
| Heat rate (K/min) | 2. | 2. |
| Initial hold (min) | 2. | 2. |
| Final hold (min) | ||
| I | 1122. | 1122. |
| Reference | Takeoka, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 |
| 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.
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Notes
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- 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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