Hexanoic acid, 3-hydroxy-, ethyl ester
- Formula: C8H16O3
- Molecular weight: 160.2108
- IUPAC Standard InChIKey: LYRIITRHDCNUHV-UHFFFAOYSA-N
- CAS Registry Number: 2305-25-1
- 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: Ethyl 3-hydroxyhexanoate; Ethyl hydroxy-3-hexanoate
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Van Den Dool and Kratz 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 | DB-1 | HP-5 | HP-5MS | DB-1 | Ultra-2 |
Column length (m) | 25. | 30. | 30. | 30. | 25. |
Carrier gas | He | He | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | 0.33 |
Tstart (C) | 50. | 50. | 60. | 40. | 40. |
Tend (C) | 300. | 250. | 250. | 250. | 280. |
Heat rate (K/min) | 4. | 4. | 4. | 3. | 3. |
Initial hold (min) | 5. | 2. | 2. | ||
Final hold (min) | 15. | 20. | 20. | 10. | |
I | 1124. | 1136. | 1133. | 1140. | 1126. |
Reference | Osorio, Alarcon, et al., 2006 | Mahattanatawee, Goodner, et al., 2005 | Pino, Mesa, et al., 2005 | Brat, Rega, et al., 2003 | Ceva-Antunes, Bizzo, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | SPB-5 | DB-5MS | DB-5 | DB-1 |
Column length (m) | 30. | 30. | 30. | 50. |
Carrier gas | He | H2 | H2 | He |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 1.05 |
Tstart (C) | 60. | 40. | 40. | 40. |
Tend (C) | 250. | 200. | 220. | 260. |
Heat rate (K/min) | 4. | 2. | 3. | 2. |
Initial hold (min) | 2. | |||
Final hold (min) | 20. | 40. | ||
I | 1133. | 1126. | 1130. | 1106. |
Reference | Pino, Marbot, et al., 2002 | Chassagne, Boulanger, et al., 1999 | Moio L., Rillo L., et al., 1996 | Wu, Kuo, et al., 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C.,
Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.),
J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c
. [all data]
Mahattanatawee, Goodner, et al., 2005
Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A.,
Volatile constituents and character impact compounds of selected Florida's tropical fruit,
Proc. Fla. State Hort. Soc., 2005, 118, 414-418. [all data]
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Brat, Rega, et al., 2003
Brat, P.; Rega, B.; Alter, P.; Reynes, M.; Brillouet, J.-M.,
Distribution of volatile compounds in the pulp, cloud, and serum of freshly squeezed orange juice,
J. Agric. Food Chem., 2003, 51, 11, 3442-3447, https://doi.org/10.1021/jf026226y
. [all data]
Ceva-Antunes, Bizzo, et al., 2003
Ceva-Antunes, P.M.N.; Bizzo, H.R.; Alves, S.M.; Antunes, O.A.C.,
Analysis of volatile compounds of taperebá (Spondias mombin L.) and Cajá (Spondias mombin L.) by simultaneous distillation and extraction (SDE) and solid phase microextraction (SPME),
J. Agric. Food Chem., 2003, 51, 5, 1387-1392, https://doi.org/10.1021/jf025873m
. [all data]
Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A.,
Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba,
Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116
. [all data]
Chassagne, Boulanger, et al., 1999
Chassagne, D.; Boulanger, R.; Crouzet, J.,
Enzymatic hydrolysis of edible Passiflora fruit glycosides,
Food Chem., 1999, 66, 3, 281-288, https://doi.org/10.1016/S0308-8146(99)00044-8
. [all data]
Moio L., Rillo L., et al., 1996
Moio L.; Rillo L.; Ledda A.; Addeo F.,
Odorous constituents of ovine milk in relationship to diet,
J. Dairy Sci., 1996, 79, 8, 1322-1331, https://doi.org/10.3168/jds.S0022-0302(96)76488-3
. [all data]
Wu, Kuo, et al., 1991
Wu, P.; Kuo, M.-C.; Hartman, T.G.; Rosen, R.T.; Ho, C.-T.,
Free and glycosidically bound aroma compounds in pineapple (Ananas comosus L. Merr.),
J. Agric. Food Chem., 1991, 39, 1, 170-172, https://doi.org/10.1021/jf00001a033
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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