Acetic acid, pentyl ester
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChIKey: PGMYKACGEOXYJE-UHFFFAOYSA-N
- CAS Registry Number: 628-63-7
- 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. - Isotopologues:
- Other names: n-Amyl acetate; n-Pentyl acetate; Amyl acetate; Birnenoel; Pentyl acetate; Acetic acid, amyl ester; Amyl acetic ester; Amyl acetic ether; Banana oil; Pear oil; Pent-acetate; 1-Pentanol acetate; 1-Pentyl acetate; Acetic acid n-amyl ester; n-Pentyl ethanoate; Acetate d'amyle; Amylazetat; Octan amylu; Pent-acetate 28; Amylester kyseliny octove; Primary amyl acetate; Pentyl ester of acetic acid; Acetic acid, n-pentyl ester; 1-Acetoxypentane; NSC 7923
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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 57 CB | DB-Wax | DB-Wax | Innowax | DB-Wax |
Column length (m) | 50. | 30. | 30. | 60. | 60. |
Carrier gas | Hydrogen | He | N2 | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.53 |
Phase thickness (μm) | 0.20 | 0.25 | 0.25 | 0.25 | 1. |
Tstart (C) | 35. | 40. | 40. | 60. | 50. |
Tend (C) | 150. | 230. | 230. | 240. | 180. |
Heat rate (K/min) | 4. | 4. | 4. | 5. | 3. |
Initial hold (min) | 5. | 2. | 2. | 10. | |
Final hold (min) | 17.5 | 5. | 5. | 30. | |
I | 1150. | 1161. | 1185. | 1176. | 1161. |
Reference | Callejon, Morales, et al., 2008 | Xu, Fan, et al., 2007 | Fan and Qian, 2005 | Joichi, Yomogida, et al., 2005 | Rizzolo, Cambiaghi, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | DB-Wax | TC-Wax | DB-Wax | Supelcowax-10 |
Column length (m) | 50. | 60. | 60. | 30. | 90. |
Carrier gas | Helium | He | Hydrogen | He | |
Substrate | |||||
Column diameter (mm) | 0.70 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.50 | 0.25 | ||
Tstart (C) | 50. | 40. | 80. | 30. | 35. |
Tend (C) | 280. | 220. | 240. | 190. | 220. |
Heat rate (K/min) | 4. | 3. | 3. | 3. | 2. |
Initial hold (min) | 2. | 10. | 5. | 6. | 20. |
Final hold (min) | 10. | 30. | |||
I | 1173. | 1172. | 1167. | 1177. | 1180. |
Reference | Saura, LAencina, et al., 2003 | Hayata, Sakamoto, et al., 2002 | Shuichi, Masazumi, et al., 1996 | Young, Gilbert, et al., 1996 | Girard and Lau, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | Carbowax 20M | DB-Wax | DB-Wax | Carbowax 20M |
Column length (m) | 80. | 60. | 60. | 31. |
Carrier gas | H2 | H2 | Helium | |
Substrate | ||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.50 |
Phase thickness (μm) | 0.25 | 0.25 | ||
Tstart (C) | 70. | 30. | 30. | 40. |
Tend (C) | 170. | 180. | 180. | 200. |
Heat rate (K/min) | 2. | 2. | 2. | 10. |
Initial hold (min) | 2. | 2. | ||
Final hold (min) | ||||
I | 1161. | 1174. | 1174. | 1222. |
Reference | Anker, Jurs, et al., 1990 | Takeoka, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 | Labropoulos, Palmer, et al., 1982 |
Comment | MSDC-RI | MSDC-RI | 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.
Callejon, Morales, et al., 2008
Callejon, R.M.; Morales, M.L.; Ferreira, A.C.S.; Troncoso, A.M.,
Defining the typical aroma of sherry vinegar: sensory and chemical approach,
J. Agric. Food Chem., 2008, 56, 17, 8086-8095, https://doi.org/10.1021/jf800903n
. [all data]
Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732
. [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]
Joichi, Yomogida, et al., 2005
Joichi, A.; Yomogida, K.; Awano, K.; Ueda, Y.,
Volatile components of tea-scented modern roses and ancient Chinese roses,
Flavour Fragr. J., 2005, 20, 2, 152-157, https://doi.org/10.1002/ffj.1388
. [all data]
Rizzolo, Cambiaghi, et al., 2005
Rizzolo, A.; Cambiaghi, P.; Grassi, M.; Zerbini, P.E.,
Influence of 1-Methylcyclopropene and Storage Atmosphere on Changes in Volatile Compounds and Fruit Quality of Conference Pears,
J. Agric. Food Chem., 2005, 53, 25, 9781-9789, https://doi.org/10.1021/jf051339d
. [all data]
Saura, LAencina, et al., 2003
Saura, D.; LAencina, J.; Perez-Lopez, A.J.; Lizama, V.; Carbonell-Barrachina, A.A.,
Aroma of canned peach halves acidified with clarified lemon juice,
J. Food Sci., 2003, 68, 3, 1080-1085, https://doi.org/10.1111/j.1365-2621.2003.tb08292.x
. [all data]
Hayata, Sakamoto, et al., 2002
Hayata, Y.; Sakamoto, T.; Kozuka, H.; Sakamoto, K.; Osajima, Y.,
Analysis of aromatic volatile compounds in 'Miyabi' melon (Cucumis melo L.) using the Porapak Q column,
J. Jpn. Soc. Hortic. Sci., 2002, 71, 4, 517-525, https://doi.org/10.2503/jjshs.71.517
. [all data]
Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]
Young, Gilbert, et al., 1996
Young, H.; Gilbert, J.M.; Murray, S.H.; Ball, R.D.,
Causal effects of aroma compounds on Royal Gala apple flavours,
J. Sci. Food Agric., 1996, 71, 3, 329-336, https://doi.org/10.1002/(SICI)1097-0010(199607)71:3<329::AID-JSFA588>3.0.CO;2-8
. [all data]
Girard and Lau, 1995
Girard, B.; Lau, O.L.,
Effect of maturity and storage on quality and volatile production of 'Jonagold' apples,
Food Res. Int., 1995, 28, 5, 465-471, https://doi.org/10.1016/0963-9969(96)81393-7
. [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]
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]
Labropoulos, Palmer, et al., 1982
Labropoulos, A.E.; Palmer, J.K.; Tao, P.,
Flavor evaluation and characterization of yogurt as affected by ultra-high temperature and vat processes,
J. Dairy Sci., 1982, 65, 2, 191-196, https://doi.org/10.3168/jds.S0022-0302(82)82176-0
. [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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