3-Octanone
- Formula: C8H16O
- Molecular weight: 128.2120
- IUPAC Standard InChI: InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
- IUPAC Standard InChIKey: RHLVCLIPMVJYKS-UHFFFAOYSA-N
- CAS Registry Number: 106-68-3
- 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: n-Octanone-3; Amyl ethyl ketone; Ethyl amyl ketone; Ethyl n-amyl ketone; Ethyl pentyl ketone; EAK; Octan-3-one; Ethyl n-pentyl ketone; 3-Oxooctane; NSC 60161; 3-octanonere
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Van Den Dool and Kratz RI, polar column, custom temperature program
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 | Supelcowax-10 | Supelcowax-10 | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | 0.25 |
| Program | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min) | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C | 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C | 20C(30s) => fast => 60C => 4C/min => 220C (20min) |
| I | 1255. | 1251. | 1256. | 1256. | 1245. |
| Reference | Bianchi, Cantoni, et al., 2007 | Bianchi, Careri, et al., 2007 | Pennarun, Prost, et al., 2003 | Pennarun, Prost, et al., 2002 | Cantergiani, Brevard, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-Wax | DB-Wax |
| Column length (m) | 50. | 50. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.32 |
| Phase thickness (μm) | ||
| Program | 50C => 2.5C/min => 150C => 1.5C/min => 210C | 50C => 2.5C/min => 150C => 1.5C/min => 210C |
| I | 1284.7 | 1281.9 |
| Reference | Yang, Chyau, et al., 1998 | Yang, Chyau, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bianchi, Cantoni, et al., 2007
Bianchi, F.; Cantoni, C.; Careri, M.; Chiesa, L.; Musci, M.; Pinna, A.,
Characterization of the aromatic profile for the authentication and differentiation of typical Italian dry-sausages,
Talanta, 2007, 72, 4, 1552-1563, https://doi.org/10.1016/j.talanta.2007.02.019
. [all data]
Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M.,
Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness,
J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393
. [all data]
Pennarun, Prost, et al., 2003
Pennarun, A.-L.; Prost, C.; Haure, J.; Demaimay, M.,
Comparison of two microalgal diets. 2. Influence on odorant composition and organoleptic qualities of raw oysters (Crassostrea gigas),
J. Agric. Food Chem., 2003, 51, 7, 2011-2018, https://doi.org/10.1021/jf020549c
. [all data]
Pennarun, Prost, et al., 2002
Pennarun, A.L.; Prost, C.; Demaimay, M.,
Identification and origin of the character-impact compounds of raw oyster Crassostrea gigas,
J. Sci. Food Agric., 2002, 82, 14, 1652-1660, https://doi.org/10.1002/jsfa.1236
. [all data]
Cantergiani, Brevard, et al., 2001
Cantergiani, E.; Brevard, H.; Krebs, Y.; Feria-Morales, A.; Amadò, R.; Yeretzian, C.,
Characterisation of the aroma of green Mexican coffee and identification of mouldy/earthy defect,
Eur. Food Res. Technol., 2001, 212, 6, 648-657, https://doi.org/10.1007/s002170100305
. [all data]
Yang, Chyau, et al., 1998
Yang, M.-S.; Chyau, C.-C.; Horng, D.-T.; Yang, J.-S.,
Effects of Irradiation and Drying on Volatile Components of Fresh Shiitake edodes (Lentinus Sing),
J. Sci. Food Agric., 1998, 76, 1, 72-76, https://doi.org/10.1002/(SICI)1097-0010(199801)76:1<72::AID-JSFA921>3.0.CO;2-0
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.