Octanoic acid, ethyl ester
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChIKey: YYZUSRORWSJGET-UHFFFAOYSA-N
- CAS Registry Number: 106-32-1
- 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. - Isotopologues:
- Other names: Ethyl caprylate; Ethyl octanoate; Ethyl octoate; Ethyl n-octanoate; Caprylic acid ethyl ester; n-Caprylic acid ethyl ester; Ethyl octylate; Ethyl ester of octanoic acid; octanoic acid ethyl ester (ethyl octanoate); Ethyl ester octanoic acid
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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 | Innowax | VF-Wax MS | CP-Wax | DB-Wax | CP-Wax 57 CB |
Column length (m) | 30. | 60. | 60. | 30. | 50. |
Carrier gas | Helium | Helium | Helium | Helium | Hydrogen |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.20 |
Tstart (C) | 40. | 60. | 50. | 40. | 35. |
Tend (C) | 250. | 220. | 230. | 230. | 150. |
Heat rate (K/min) | 8. | 3. | 6. | 3. | 4. |
Initial hold (min) | 1. | 5. | 2. | 2. | 5. |
Final hold (min) | 2.75 | 25. | 15. | 5. | 17.5 |
I | 1434. | 1434. | 1405. | 1435. | 1432. |
Reference | Siristova, Prinosilova, et al., 2012 | Duarte, Dias, et al., 2010 | Mo, Fan, et al., 2009 | Zhao, Xu, et al., 2009 | Callejon, Morales, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Innowax | Supelcowax-10 | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 10. | 30. | 30. |
Carrier gas | Helium | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.1 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.1 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 180. | 200. | 240. | 230. | 230. |
Heat rate (K/min) | 3.5 | 10. | 50. | 4. | 4. |
Initial hold (min) | 10. | 5. | 1.5 | 2. | 2. |
Final hold (min) | 30. | 15. | 2. | 5. | 15. |
I | 1446. | 1436. | 1431. | 1409. | 1409. |
Reference | Caldeira, de Sousa, et al., 2008 | Kaypak and Avsar, 2008 | Chin, Nazimah, et al., 2007 | Xu, Fan, et al., 2007 | 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 | HP-Innowax | DB-Wax Etr | DB-Wax | Stabilwax DA |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | N2 | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 0.5 |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 230. | 200. | 220. | 230. | 180. |
Heat rate (K/min) | 6. | 2. | 2. | 4. | 5. |
Initial hold (min) | 2. | 3. | 1. | 2. | 5. |
Final hold (min) | 15. | 15. | 10. | 5. | |
I | 1434. | 1418. | 1456. | 1411. | 1453. |
Reference | Fan and Qian, 2006, 2 | Komes, Ulrich, et al., 2006 | Perestrelo, Fernandes, et al., 2006 | Fan and Qian, 2005 | Nogueira, Lubachevsky, 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 | DB-Wax | DB-Wax | PEG-20M | DB-Wax |
Column length (m) | 60. | 30. | 60. | 50. | 30. |
Carrier gas | Nitrogen | H2 | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.20 | 0.25 |
Phase thickness (μm) | 0.50 | 0.5 | 0.25 | 0.20 | 0.5 |
Tstart (C) | 35. | 40. | 40. | 40. | 50. |
Tend (C) | 235. | 200. | 220. | 180. | 200. |
Heat rate (K/min) | 2. | 4. | 3. | 3. | 3. |
Initial hold (min) | 4. | 5. | 5. | 5. | 10. |
Final hold (min) | 30. | 30. | 10. | ||
I | 1454. | 1435. | 1446. | 1437. | 1449. |
Reference | Qian and Wang, 2005 | Culleré, Escudero, et al., 2004 | López, Ezpeleta, et al., 2004 | Narain, Almeida, et al., 2004 | Alves and Franco, 2003 |
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 | Carbowax 20M | DB-Wax |
Column length (m) | 30. | 30. | 60. | 50. | 30. |
Carrier gas | He | H2 | Helium | N2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.5 | |
Tstart (C) | 40. | 40. | 70. | 90. | 40. |
Tend (C) | 185. | 200. | 210. | 220. | 200. |
Heat rate (K/min) | 4. | 4. | 2. | 3. | 4. |
Initial hold (min) | 4. | 5. | 5. | ||
Final hold (min) | 20. | 60. | |||
I | 1427. | 1431. | 1438. | 1438. | 1444. |
Reference | Lee and Noble, 2003 | López, Ortín, et al., 2003 | Mookdasanit, Tamura, et al., 2003 | Priestap, van Baren, et al., 2003 | Ferreira, Ortín, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-FFAP | DB-Wax | DB-Wax | DB-FFAP | DB-Wax |
Column length (m) | 25. | 30. | 30. | 30. | 60. |
Carrier gas | H2 | H2 | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.52 | 0.5 | 0.5 | 0.25 | 0.25 |
Tstart (C) | 60. | 40. | 40. | 40. | 40. |
Tend (C) | 240. | 200. | 200. | 195. | 200. |
Heat rate (K/min) | 5. | 4. | 4. | 5. | 2. |
Initial hold (min) | 1. | 5. | 5. | 5. | |
Final hold (min) | 5. | 60. | 60. | 40. | |
I | 1422. | 1446. | 1446. | 1404. | 1421. |
Reference | Qian and Reineccius, 2002 | Aznar, López, et al., 2001 | Ferreira, Aznar, et al., 2001 | Suriyaphan, Drake, et al., 2001 | Wei, Mura, 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 | DB-Wax | DB-Wax | Supelcowax-10 | DB-Wax |
Column length (m) | 30. | 30. | 30. | 60. | 30. |
Carrier gas | He | He | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.2 | 0.2 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | ||
Tstart (C) | 50. | 50. | 50. | 60. | 60. |
Tend (C) | 210. | 180. | 180. | 280. | 245. |
Heat rate (K/min) | 2. | 3. | 3. | 4. | 3. |
Initial hold (min) | 2. | 8. | 8. | 3. | |
Final hold (min) | 20. | ||||
I | 1461. | 1442. | 1449. | 1436. | 1436. |
Reference | Ebeler, Terrien, et al., 2000 | Franco and Shibamoto, 2000 | Franco and Shibamoto, 2000 | Korány, Mednyánszky, et al., 2000 | Kotseridis and Baumes, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | CP-Wax 52CB | Carbowax 20M | Supelcowax-10 | Carbowax 20M |
Column length (m) | 60. | 50. | 60. | 60. | 60. |
Carrier gas | Nitrogen | H2 | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.22 | 0.5 | 0.5 | 0.5 | |
Tstart (C) | 40. | 60. | 40. | 35. | 40. |
Tend (C) | 200. | 190. | 190. | 250. | 190. |
Heat rate (K/min) | 2. | 2. | 2. | 5. | 2. |
Initial hold (min) | 10. | 4. | 5. | 5. | 5. |
Final hold (min) | 21. | 20. | |||
I | 1441. | 1423. | 1439. | 1451. | 1439. |
Reference | Tamura, Boonbumrung, et al., 2000 | Hwan and Chou, 1999 | Lopez, Ferreira, et al., 1999 | Campeanu, Burcea, et al., 1998 | Ferreira, Ardanuy, 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 | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 30. | 30. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.25 | |
Tstart (C) | 40. | 40. | 50. | 50. | 50. |
Tend (C) | 190. | 190. | 240. | 240. | 200. |
Heat rate (K/min) | 2. | 2. | 4. | 4. | 3. |
Initial hold (min) | 5. | 5. | 3. | 3. | |
Final hold (min) | 10. | 10. | 40. | ||
I | 1439. | 1439. | 1431. | 1431. | 1443. |
Reference | Ferreira, Ardanuy, et al., 1998 | Ferreira, Lopez, et al., 1998 | Parada and Duque, 1998 | Parada and Duque, 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 | DB-Wax | CP-Wax 52CB | SP-1000 | DB-Wax | DB-Wax |
Column length (m) | 60. | 50. | 25. | 60. | 60. |
Carrier gas | He | H2 | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.2 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.22 | 0.43 | 0.25 | 0.25 |
Tstart (C) | 50. | 50. | 60. | 30. | 30. |
Tend (C) | 230. | 200. | 190. | 180. | 180. |
Heat rate (K/min) | 2. | 2. | 4. | 2. | 2. |
Initial hold (min) | 4. | 5. | 4. | 4. | |
Final hold (min) | 30. | ||||
I | 1429. | 1430.2 | 1441. | 1426. | 1426. |
Reference | Shimoda, Shiratsuchi, et al., 1993 | Chyau, Chen, et al., 1992 | De Llano D.G., Ramos M., 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 | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | DB-Wax | DB-Wax | Carbowax 20M |
Column length (m) | 50. | 50. | 60. | 60. | 50. |
Carrier gas | N2 | N2 | H2 | H2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.22 | 0.25 | 0.25 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | |||
Tstart (C) | 80. | 80. | 30. | 30. | 80. |
Tend (C) | 200. | 200. | 180. | 180. | 200. |
Heat rate (K/min) | 3. | 3. | 2. | 2. | 3. |
Initial hold (min) | 2. | 2. | |||
Final hold (min) | |||||
I | 1425. | 1429. | 1434. | 1434. | 1425. |
Reference | Mihara, Tateba, et al., 1988 | Mihara, Tateba, et al., 1988 | Takeoka, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 | Mihara, Tateba, et al., 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | Carbowax 20M | BP-20 |
Column length (m) | 50. | 25. |
Carrier gas | N2 | |
Substrate | ||
Column diameter (mm) | 0.22 | 0.2 |
Phase thickness (μm) | ||
Tstart (C) | 80. | 70. |
Tend (C) | 200. | 180. |
Heat rate (K/min) | 3. | 3. |
Initial hold (min) | 5. | |
Final hold (min) | ||
I | 1429. | 1457. |
Reference | Mihara, Tateba, et al., 1987 | MacLeod and Snyder, 1985 |
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.
Siristova, Prinosilova, et al., 2012
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Changes in volatile compounds of Chinese rice wine wheat qu during fermentation and storage,
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Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
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Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry,
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Identification and quantification of impact odorants of aged red wines from Rioja. GC-olfactometry, quantitative GC-MS, and odor evaluation of HPLC fractions,
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Characteristic aroma components of British farmhouse cheddar cheese,
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Notes
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