9-Octadecenoic acid (Z)-, methyl ester
- Formula: C19H36O2
- Molecular weight: 296.4879
- IUPAC Standard InChI: InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-
- IUPAC Standard InChIKey: QYDYPVFESGNLHU-KHPPLWFESA-N
- CAS Registry Number: 112-62-9
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Oleic acid, methyl ester; Emery oleic acid ester 2301; Methyl cis-9-octadecenoate; Methyl oleate; (Z)-9-Octadecenoic acid methyl ester; cis-9-Octyldecenoic acid, methyl ester; Emery, oleic acid ester; Methyl 9-octadecenoate, cis-; Oleic acid, methyl ester, cis-; Emerest 2801; Kemester 205; Methyl (Z)-9-octadecenoate; Emery 2301; Priolube 1400; Witconol 2301; 9-octadecenoic acid, methyl ester (Z); cis-9-Octadecenoic acid, methyl ester; Methyl-cis-oleate; Methyl (Z)-9-oleate; (Z)-9-Methyl octadecenoate; 9-Octadecenoic acid (9Z)-, methyl ester; ADJ 100; Edenor Me 90/95V; Edenor MeTiO5; Esterol 112; Exceparl M-OL; Nissan Unister M 182A; Phytorob 926-67; Priolube 1403; Unister M 182A; Methyl 9-octadecenoate; Methyl (9z)-9-octadecenoate; Emerest 2301 (Salt/Mix); Kemester 213 (Salt/Mix); Emery 2219 (Salt/Mix)
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IR Spectrum
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, IR Spectrum, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| NIST MS number | 333597 |
Gas Chromatography
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 200. | 2074.7 | Kittiratanapiboon, Jeyashoke, et al., 1998 | 15. m/0.25 mm/0.2 μm, N2 |
| Capillary | CP Sil 5 CB | 240. | 2072. | Hanai and Hong, 1989 | 30. m/0.25 mm/0.25 μm |
| Capillary | DB-1 | 240. | 2085. | Hanai and Hong, 1989 | 30. m/0.25 mm/0.25 μm |
| Packed | SE-30 | 200. | 2081. | Golovnya and Kuzmenko, 1977 | He, Chromosorb W (80-100 mesh); Column length: 1.5 m |
| Packed | SE-30 | 200. | 2081. | Golovnya, Uralets, et al., 1976 | Gas Chrom Q (80-100 mesh); Column length: 1.5 m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 2104. | Jayaprakasha, Jaganmohan Rao, et al., 1997 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 5. K/min, 250. C @ 5. min |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 2086. | Ramsey, Lee, et al., 1980 | He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-Wax | 240. | 2472. | Hanai and Hong, 1989 | 25. m/0.25 mm/0.22 μm |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 2400. | Toda, Mihara, et al., 1983 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | Carbowax 20M | 2403. | Toda, Mihara, et al., 1983 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2085. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | DB-5 | 2086. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | CP Sil 5 CB | 2082. | Ziegenbein, Hanssen, et al., 2006 | 25. m/0.25 mm/0.4 μm, He, 10. K/min; Tstart: 80. C; Tend: 270. C |
| Capillary | HP-5MS | 2103. | Pino, Mesa, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | DB-5 | 2087. | Wu, Zorn, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | HP-1 | 2077. | Cavalli, Fernandez, et al., 2003 | 50. m/0.2 mm/0.33 μm, He, 60. C @ 5. min, 2. K/min, 250. C @ 20. min |
| Capillary | Optima 5 | 2082. | Chosson, Vérité, et al., 2003 | 25. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 20. min; Tstart: 60. C |
| Capillary | DB-1 | 2079. | Johnson, Urso, et al., 1997 | 30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min |
| Capillary | Ultra-1 | 2082.49 | Richmond and Pombo-Villar, 1997 | 25. m/0.32 mm/0.52 μm, 15. K/min, 320. C @ 10. min; Tstart: 35. C |
| Capillary | BP-1 | 2079. | Tan, Wilkins, et al., 1989 | H2, 40. C @ 2. min, 4. K/min, 240. C @ 75. min; Column length: 12. m |
| Capillary | OV-1 | 2076. | Tan, Holland, et al., 1988 | He, 8. K/min, 280. C @ 10. min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 40. C |
| Capillary | SP-2100 | 2078.92 | Podmaniczky, Szepesy, et al., 1986 | H2, 2. K/min; Tstart: 170. C |
| Capillary | SP-2100 | 2073.44 | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
| Capillary | SP-2100 | 2071.63 | Podmaniczky, Szepesy, et al., 1986 | H2, 6. K/min; Tstart: 170. C |
| Capillary | SP-2100 | 2086.34 | Podmaniczky, Szepesy, et al., 1986 | H2, 2. K/min; Tstart: 170. C |
| Capillary | SP-2100 | 2072.42 | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
| Capillary | SP-2100 | 2077.28 | Podmaniczky, Szepesy, et al., 1986 | H2, 6. K/min; Tstart: 170. C |
| Capillary | CP Sil 5 CB | 2072.14 | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 2108.9 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-Wax | 2426. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | ZB-Wax | 2434. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | ZB-Wax | 2436. | Wu, Zorn, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | AT-Wax | 2435. | Pino, Almora, et al., 2003 | 60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | LM-1 | 210. | 2087. | Filho and Lancas, 1995 | 30. m/0.25 mm/0.25 μm, Hydrogen |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 2085. | Vedernikov, Shabanova, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 280. C @ 5. min; Tstart: 150. C |
| Capillary | RTx-1 | 2106. | Dib, Bendahou, et al., 2010 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 35. min; Tstart: 60. C |
| Capillary | SPB-1 | 2084. | Lazarevic, Palic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | DB-5 MS | 2095. | Silva, Pott, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 2074. | Bousaada, Ammar, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min |
| Capillary | HP-5MS | 2098.1 | Zizovic, Stamenic, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
| Capillary | DB-5 | 2106. | Rout, Misra, et al., 2005 | 25. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 80. min; Tstart: 60. C |
| Capillary | HP-5 | 2085. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | HP-5 | 2081. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | HP-5 | 2082. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | HP-5 | 2085. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | HP-5 | 2086. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | DB-5 | 2100. | Senatore, Rigano, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 250. C @ 20. min |
| Capillary | DB-1 | 2045. | Krop, 2003 | 30. m/0.32 mm/0.25 μm, Helium, 10. K/min; Tstart: 160. C; Tend: 252. C |
| Capillary | Ultra-1 | 2078. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
| Capillary | OV-101 | 2080. | Stern, Flath, et al., 1985 | 40. C @ 0.1 min, 4. K/min, 225. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
| Capillary | OV-101 | 2079. | Stern, Flath, et al., 1985 | 50. C @ 0.1 min, 4. K/min, 225. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
| Capillary | OV-101 | 2082. | Ehrhardt, Osterroht, et al., 1980 | Hydrogen, 60. C @ 0.5 min, 4. K/min; Column length: 30. m; Column diameter: 0.35 mm; Tend: 270. C |
| Capillary | OV-101 | 2083. | Ehrhardt, Osterroht, et al., 1980 | Hydrogen, 60. C @ 0.5 min, 4. K/min; Column length: 30. m; Column diameter: 0.35 mm; Tend: 270. C |
| Capillary | OV-101 | 2101. | Spiteller and Spiteller, 1979 | He, 75. C @ 7. min, 2. K/min; Column length: 25. m; Tend: 280. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SLB-5 MS | 2085. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | SLB-5 MS | 2102. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | RTx-1 | 2084. | Dib, Bendahou, et al., 2010 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
| Capillary | HP-5MS | 2062. | Ning, Zheng, et al., 2008 | 30. m/0.25 mm/0.25 μm, He; Program: 40 0C (2 min) 3 0C/min -> 180 0C (2 min) 15 0C -> 280 0C |
| Capillary | HP-5MS | 2105. | Alissandrakis, Kibaris, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min) |
| Capillary | CP Sil 5 CB | 2081. | Weyerstahl, Marschall, et al., 1998 | He; Column length: 25. m; Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 2086. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
| Other | Methyl Silicone | 2086. | Ardrey and Moffat, 1981 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 2439. | Bousaada, Ammar, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min |
| Capillary | TC-FFAP | 2455. | Kurose and Yatagai, 2005 | 60. m/0.25 mm/0.4 μm, He, 3. K/min, 220. C @ 30. min; Tstart: 60. C |
| Capillary | ZB-Wax | 2429. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | ZB-Wax | 2424. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | ZB-Wax | 2426. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | ZB-Wax | 2433. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | ZB-Wax | 2434. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | TC-Wax | 2439. | Miyazawa and Okuno, 2003 | He, 4. K/min, 250. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C |
| Capillary | TC-Wax | 2452. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax FSC | 2476. | Baser, Özek, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min >220C (10min) => 1C/min => 240C |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 357.7 | Johnson, Urso, et al., 1997 | 30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min |
References
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kittiratanapiboon, Jeyashoke, et al., 1998
Kittiratanapiboon, K.; Jeyashoke, N.; Krisnangkura, K.,
The relationship of Kováts retention indices and equivalent chain lengths of fatty acid methyl esters on a methyl silicone capillary column,
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. [all data]
Hanai and Hong, 1989
Hanai, T.; Hong, C.,
Structure-retention correlation in CGC,
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Golovnya and Kuzmenko, 1977
Golovnya, R.V.; Kuzmenko, T.E.,
Thermodynamic evaluation of the interaction of fatty acid methyl esters with polar and non-polar stationary phases, based on their retention indices,
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Golovnya, Uralets, et al., 1976
Golovnya, R.V.; Uralets, V.P.; Kuzmenko, T.E.,
Characterization of fatty acid methyl esters by gas chromatography on siloxane liquid phases,
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Jayaprakasha, Jaganmohan Rao, et al., 1997
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Photochemical studies on jasmin oil,
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Chemical constituents of the essential oils of three wood-rotting fungi,
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Volatile components from mango (Mangifera indica L.) cultivars,
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Notes
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