Fenchyl acetate
- Formula: C12H20O2
- Molecular weight: 196.2860
- IUPAC Standard InChI: InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3
- IUPAC Standard InChIKey: JUWUWIGZUVEFQB-UHFFFAOYSA-N
- CAS Registry Number: 13851-11-1
- 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. - Stereoisomers:
- Other names: Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate; 1,3,3-Trimethyl-2-norbornanyl acetate; 2-Norbornanol, 1,3,3-trimethyl-, acetate; 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl acetate; NSC 404295; Fenchyl acetate (Isomer); 3,3-dimethyl-8,9-dinorbornan-2-yl acetate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
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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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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, 1994 |
| NIST MS number | 133404 |
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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1207. | Ogunwande, Olawore, et al., 2004 | 25. m/0.25 mm/0.15 μm, H2, 3. K/min; Tstart: 50. C; Tend: 230. C |
| Capillary | CP Sil 5 CB | 1205. | Ogunwande, Olawore, et al., 2003 | 25. m/0.25 mm/0.15 μm, H2, 3. K/min; Tstart: 50. C; Tend: 230. C |
| Capillary | DB-5 | 1223. | Viña and Murillo, 2003 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 0.5 K/min, 250. C @ 10. min |
| Capillary | BP-1 | 1214. | Raina, Srivastava, et al., 2002 | 25. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-1 | 1207. | Cavalli, Tomi, et al., 2006 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C |
| Capillary | DB-5 | 1217. | Dob, Dahmane, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2, 60. C @ 3. min, 3. K/min, 240. C @ 5. min |
| Capillary | BP-1 | 1208. | Gonny, Cavaleiro, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | OV-1 | 1220. | Rubiolo P., Matteodo M., et al., 2006 | 25. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 3. K/min, 220. C @ 5. min |
| Capillary | RTX-1 | 1208. | Cozzani, Muselli, et al., 2005 | 60. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | BP-1 | 1206. | Ferrari, Tomi, et al., 2005 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | RTX-1 | 1208. | Cavalli, Tomi, et al., 2003 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1222.6 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | HP-5MS | 1228. | Pérez, Navarro, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(4min) => 10C/min => 200C(0.5min) => 20C/min => 260C(5min) |
| Capillary | SE-52 | 1233. | Guerrini, Sacchetti, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | SPB-1 | 1210. | Díaz-Maroto, Sánchez Palomo, et al., 2004 | 50. m/0.25 mm/0.25 μm; Program: 70C(3min) => 4C/min => 120C => 8C/min => 250C |
| Capillary | BP-1 | 1209. | Filippini, Tomi, et al., 2000 | Program: not specified |
| Capillary | SE-52 | 1221. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1460. | Cavalli, Tomi, et al., 2006 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C |
| Capillary | BP-20 | 1466. | Gonny, Cavaleiro, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | PEG-20M | 1464. | Rubiolo P., Matteodo M., et al., 2006 | 25. m/0.25 mm/0.3 μm, He, 50. C @ 1. min, 3. K/min, 220. C @ 5. min |
| Capillary | RTX-Wax | 1459. | Cozzani, Muselli, et al., 2005 | 60. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | BP-20 | 1464. | Ferrari, Tomi, et al., 2005 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-Wax | 1470. | Brophy, Goldsack, et al., 2004 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 32. C; Tend: 220. C |
| Capillary | RTX-Wax | 1464. | Cavalli, Tomi, et al., 2003 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 45. min; Tstart: 60. C |
| Capillary | Carbowax 20M | 1466. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.425 μm, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1468. | Filippini, Tomi, et al., 2000 | Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1240. | 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-5 | 1219. | Saidana, Mahjoub, 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-5 MS | 1232. | Araque, Rojas, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min, 200. C @ 20. min; Tstart: 60. C |
| Capillary | CP Sil 5 CB | 1204. | Baran, von Reuss, et al., 2007 | 30. m/0.32 mm/0.25 μm, N2, 4. K/min; Tstart: 60. C; Tend: 300. C |
| Capillary | HP-5 | 1230. | Abdelwahed, Hayder, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 50. C @ 3. min, 9. K/min, 280. C @ 3. min |
| Capillary | HP-5 | 1232. | Abdelwahed, Hayder, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 50. C @ 3. min, 9. K/min, 280. C @ 3. min |
| Capillary | DB-1 | 1198. | Iranshahi, Amin, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min |
| Capillary | SPB-1 | 1199. | Wong, Sivasothy, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 4. K/min, 250. C @ 10. min |
| Capillary | HP-5MS | 1220. | Petrakis, Roussis, et al., 2005 | 3. K/min; Column length: 30. m; Column diameter: 0.2 mm; Tstart: 60. C; Tend: 280. C |
| Capillary | SPB-5 | 1225. | Gauvin, Ravaomanarivo, et al., 2004 | 60. m/0.32 mm/1. μm, He, 4. K/min, 200. C @ 30. min; Tstart: 60. C |
| Capillary | DB-1 | 1211. | Mirza, Nik, et al., 2003 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 270. C |
| Capillary | DB-5 | 1220. | Rousis, Papadogianni, et al., 2001 | He, 50. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 250. C |
| Capillary | CP Sil 5 CB | 1203. | Oyedeji, Olawore, et al., 1999 | He, 3. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 230. C |
| Capillary | DB-1 | 1209. | Werkhoff and Güntert, 1997 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1201. | Figueiredo A.C., Barroso J.G., et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (10min) |
| Capillary | HP-5 | 1253. | Jordan, Martinez, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C |
| Capillary | SE-52 | 1216. | Lorenzo, Loayza, et al., 2006 | 25. m/0.32 mm/0.42 μm, H2; Program: 60C(8min) => 3C/min => 180C => 20C/min => 250C (10min) |
| Capillary | DB-5 | 1226. | Hamm, Bleton, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 9C/min => 130C => 2C/min => 230C |
| Capillary | DB-5 | 1221. | Lo Cantore, Iacobellis, et al., 2004 | Program: not specified |
| Capillary | SE-30 | 1220. | Vinogradov, 2004 | Program: not specified |
| Capillary | DB-5 | 1223. | Petrakis, Tsitsimpikou, et al., 2001 | Program: not specified |
| Capillary | CP Sil 5 CB | 1212. | Weyerstahl, Marschall, et al., 1998 | He; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified |
| Capillary | OV-101 | 1220. | Shibamoto, 1987 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 1476. | 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 | Supelcowax-10 | 1465. | Wong, Sivasothy, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 4. K/min, 250. C @ 10. min |
| Capillary | Stabilwax | 1473. | Jirovetz, Buchbauer, et al., 2005 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | Supelcowax-10 | 1443. | Gauvin, Ravaomanarivo, et al., 2004 | 60. m/0.2 mm/0.2 μm, He, 4. K/min, 200. C @ 40. min; Tstart: 60. C |
| Capillary | Innowax FSC | 1482. | Lourens, Reddy, et al., 2004 | Helium, 60. C @ 10. min, 4. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
| Capillary | DB-Wax | 1458. | Werkhoff and Güntert, 1997 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1426. | Lorenzo, Loayza, et al., 2006 | 25. m/0.32 mm/0.25 μm, H2; Program: 40C(8min) => 3C/min => 180C => 20C/min => 230C (10min) |
| Capillary | Carbowax 20M | 1473. | Vinogradov, 2004 | Program: not specified |
| Capillary | DB-Wax | 1481. | Weyerstahl, Marschall, et al., 1998 | N2; Column length: 60. m; Phase thickness: 0.25 μm; Program: not specified |
| Capillary | Carbowax 20M | 1473. | Shibamoto, 1987 | Program: not specified |
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.
Ogunwande, Olawore, et al., 2004
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. [all data]
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Identification of some ester compounds in bourbon vanilla beans,
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Figueiredo A.C., Barroso J.G., et al., 2006
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Asterella africana (Mont.) A. Evans grown on Madeira and in mainland Portugal: morphological data and composition of the essential oil,
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Lorenzo, Loayza, et al., 2006
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Hamm, Bleton, et al., 2004
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Vinogradov, 2004
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Petrakis, Tsitsimpikou, et al., 2001
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Weyerstahl, Marschall, et al., 1998
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Shibamoto, 1987
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Retention Indices in Essential Oil Analysis
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Jirovetz, Buchbauer, et al., 2005
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. [all data]
Notes
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