Linalyl acetate
- Formula: C12H20O2
- Molecular weight: 196.2860
- IUPAC Standard InChIKey: UWKAYLJWKGQEPM-UHFFFAOYSA-N
- CAS Registry Number: 115-95-7
- 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: 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate; Acetic acid linalool ester; Bergamiol; Bergamol; Bergamot mint oil; Linalool acetate; 1,5-Dimethyl-1-vinyl-4-hexenyl acetate; Licareol acetate; Linalol acetate; Lynalyl acetate; 3,7-Dimethyl-1,6-octadien-3-ol acetate; 3,7-Dimethyl-1,6-octadien-3-yl acetate; Phanteine; (.+/-.)-Linalyl acetate; 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate; Linaloyl acetate; NSC 2138; (+)-Linalyl acetate
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Van Den Dool and Kratz 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 | BP-20 | RTX-Wax | Polyethylene Glycol | DB-Wax | Supelcowax-10 |
Column length (m) | 50. | 60. | 30. | 60. | 30. |
Carrier gas | He | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.22 | 0.32 | 0.32 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
Tstart (C) | 60. | 60. | 50. | 35. | 70. |
Tend (C) | 220. | 230. | 230. | 220. | 220. |
Heat rate (K/min) | 2. | 2. | 2. | 3. | 3. |
Initial hold (min) | 10. | ||||
Final hold (min) | 20. | 35. | 15. | 15. | |
I | 1551. | 1555. | 1543. | 1560. | 1555. |
Reference | Duquesnoy, Castola, et al., 2007 | Paolini, Muselli, et al., 2007 | Dob, Dahmane, et al., 2006 | Pala-Paul, Copeland, et al., 2006 | Salgueiro L.R., Pinto E., et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-Wax | DB-Wax | DB-Wax | RTX-Wax | DB-Wax |
Column length (m) | 60. | 30. | 60. | 60. | 0. |
Carrier gas | He | N2 | He | ||
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.22 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
Tstart (C) | 60. | 40. | 70. | 60. | 40. |
Tend (C) | 220. | 250. | 230. | 230. | 240. |
Heat rate (K/min) | 2. | 3. | 2. | 2. | 7. |
Initial hold (min) | 2. | ||||
Final hold (min) | 20. | 20. | 20. | 35. | 5. |
I | 1541. | 1525. | 1568. | 1555. | 1559. |
Reference | Cozzani, Muselli, et al., 2005 | Fanciullino, Gancel, et al., 2005 | Njoroge, Koaze, et al., 2005 | Paolini, Costa, et al., 2005 | Gocmen, Gurbuz, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Megawax | DB-Wax | BP-20 |
Column length (m) | 30. | 60. | 30. | 60. | 50. |
Carrier gas | He | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
Tstart (C) | 40. | 70. | 40. | 67. | 60. |
Tend (C) | 250. | 230. | 220. | 235. | 220. |
Heat rate (K/min) | 3. | 2. | 2. | 2.7 | 2. |
Initial hold (min) | 2. | 6. | |||
Final hold (min) | 20. | 20. | 10. | 30. | 20. |
I | 1528. | 1569. | 1542. | 1575. | 1549. |
Reference | Brat, Rega, et al., 2003 | Choi, 2003 | Verzera, Trozzi, et al., 2003 | Claudela, Dirningera, et al., 2002 | Lota, de Rocca Serra, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-Wax | RTX-Wax | BP-20 | AT-Wax | BP-20 |
Column length (m) | 30. | 30. | 50. | 60. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.32 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 45. | 45. | 60. | 65. | 60. |
Tend (C) | 250. | 250. | 220. | 250. | 220. |
Heat rate (K/min) | 3. | 3. | 2. | 2. | 2. |
Initial hold (min) | 6. | 6. | 10. | ||
Final hold (min) | 60. | 20. | |||
I | 1548. | 1548. | 1549. | 1545. | 1548. |
Reference | Shellie, Mondello, et al., 2002 | Shellie, Mondello, et al., 2002 | Lota, Serra, et al., 2001 | Pino, Marbot, et al., 2001 | Rezzi, Bighelli, 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 | BP-20 | Innowax | BP-20 | CP-Wax 52CB |
Column length (m) | 60. | 50. | 60. | 50. | 50. |
Carrier gas | N2 | He | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.22 | 0.23 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.12 |
Tstart (C) | 70. | 60. | 50. | 60. | 50. |
Tend (C) | 230. | 230. | 180. | 230. | 200. |
Heat rate (K/min) | 2. | 2. | 2.5 | 2. | 1.5 |
Initial hold (min) | 2. | 5. | 10. | ||
Final hold (min) | 20. | 35. | 35. | 10. | |
I | 1570. | 1549. | 1542. | 1554. | 1553. |
Reference | Choi and Sawamura, 2000 | Lota, de Rocca Serra, et al., 2000 | Stashenko, Cervantes, et al., 1999 | Mariotti, Costa, et al., 1997 | Chyau, Mau, et al., 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | Carbowax 20M | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 30. |
Carrier gas | He | He | |
Substrate | |||
Column diameter (mm) | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.425 | 0.25 | 0.5 |
Tstart (C) | 45. | 50. | 40. |
Tend (C) | 300. | 230. | 220. |
Heat rate (K/min) | 3. | 2. | 3. |
Initial hold (min) | 3. | 4. | |
Final hold (min) | 20. | 30. | |
I | 1548. | 1553. | 1557. |
Reference | Mondello, Dugo, et al., 1995 | Shiratsuchi, Shimoda, et al., 1993 | Le Quere and Latrasse, 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Duquesnoy, Castola, et al., 2007
Duquesnoy, E.; Castola, V.; Casanova, J.,
Composition and chemical variability of the twig oil of Abies alba Miller from Corsica,
Flavour Fragr. J., 2007, 22, 4, 293-299, https://doi.org/10.1002/ffj.1796
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Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J.,
Thymol derivatives from essential oil of Doronicum corsicum L.,
Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824
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Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Agli, M.; Chelghoum, C.,
Essential oil composition of Lavandula stoechas from Algeria,
Pharm. Biol., 2006, 44, 1, 60-64, https://doi.org/10.1080/13880200500496421
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Pala-Paul, Copeland, et al., 2006
Pala-Paul, J.; Copeland, L.M.; Brophy, J.J.; Goldsack, R.J.,
Essential oil composition of two variants of Prostanthera lasianthos Labill. from Australia,
Biochem. Syst. Ecol., 2006, 34, 1, 48-55, https://doi.org/10.1016/j.bse.2005.04.003
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Salgueiro L.R., Pinto E., et al., 2006
Salgueiro L.R.; Pinto E.; Goncalves M.J.; Costa I.; Palmeira A.; Cavaleiro C.; Pina-Vaz C.; Rodrigues A.G.; Martinez-De-Oliveira J.,
Antifungal activity of the essential oil of Thymus capitellatus against Candida, Aspergillus and dermatophyte strains,
Flavour Fragr. J., 2006, 21, 5, 749-753, https://doi.org/10.1002/ffj.1610
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Cozzani, Muselli, et al., 2005
Cozzani, S.; Muselli, A.; Desjobert, J.-M.; Bernardini, A.-F.; Tomi, F.; Casanova, J.,
Chemical composition of essential oil of Teucrium polium subsp. capitatum (L.) from Corsica,
Flavour Fragr. J., 2005, 20, 4, 436-441, https://doi.org/10.1002/ffj.1463
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Fanciullino, Gancel, et al., 2005
Fanciullino, A.-L.; Gancel, A.-L.; Froelicher, Y.; Luro, F.; Ollitrault, P.; Brillouet, J.-M.,
Effects of Nucleo-cytoplasmic Interactions on Leaf Volatile Compounds from Citrus Somatic Diploid Hybrids,
J. Agric. Food Chem., 2005, 53, 11, 4517-4523, https://doi.org/10.1021/jf0502855
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Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M.,
Volatile Constituents of Redblush Grapefruit ( Citrus paradisi) and Pummelo ( Citrus grandis) Peel Essential Oils from Kenya,
J. Agric. Food Chem., 2005, 53, 25, 9790-9794, https://doi.org/10.1021/jf051373s
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Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A.,
Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry,
J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131
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Gocmen, Gurbuz, et al., 2004
Gocmen, D.; Gurbuz, O.; Rouseff, R.L.; Smoot, J.M.; Dagdelen, A.F.,
Gas chromatographic-olfactometric characterization of aroma active compounds in sun-dried and vacuum-dried tarhana,
Eur. Food Res. Technol., 2004, 218, 6, 573-578, https://doi.org/10.1007/s00217-004-0913-6
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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
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Choi, 2003
Choi, H.-S.,
Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil,
J. Agric. Food Chem., 2003, 51, 9, 2687-2692, https://doi.org/10.1021/jf021069o
. [all data]
Verzera, Trozzi, et al., 2003
Verzera, A.; Trozzi, A.; Gazea, F.; Cicciarelloi, G.; Cotroneo, A.,
Effects of rootstock on the composition of bergamot (Citrus bergamia Risso et Poiteau) essential oil,
J. Agric. Food Chem., 2003, 51, 1, 206-210, https://doi.org/10.1021/jf0206872
. [all data]
Claudela, Dirningera, et al., 2002
Claudela, P.; Dirningera, N.; Etievant, P.,
Effects of water on gas chromatographic column efficiency measurements applied to on-column injections of volatile aroma compounds,
J. Sep. Sci., 2002, 25, 5-6, 365-370, https://doi.org/10.1002/1615-9314(20020401)25:5/6<365::AID-JSSC365>3.0.CO;2-Y
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Lota, de Rocca Serra, et al., 2002
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Jacquemond, C.; Casanova, J.,
Volatile components of peel and leaf oils of lemon and lime species,
J. Agric. Food Chem., 2002, 50, 4, 796-805, https://doi.org/10.1021/jf010924l
. [all data]
Shellie, Mondello, et al., 2002
Shellie, R.; Mondello, L.; Marriott, P.; Dugo, G.,
Characterisation of lavender essential oils by using gas chromatography-mass spectrometry with correlation of linear retention indices and comparison with comprehensive two-dimensional gas chromatography,
J. Chromatogr. A, 2002, 970, 1-2, 225-234, https://doi.org/10.1016/S0021-9673(02)00653-2
. [all data]
Lota, Serra, et al., 2001
Lota, M.-L.; Serra, D.R.; Jacquemond, C.; Tomi, F.; Casanova, J.,
Chemical variability of peel and leaf essential oils of sour orange,
Flavour Fragr. J., 2001, 16, 2, 89-96, https://doi.org/10.1002/1099-1026(200103/04)16:2<89::AID-FFJ950>3.0.CO;2-D
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Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r
. [all data]
Rezzi, Bighelli, et al., 2001
Rezzi, S.; Bighelli, A.; Mouillot, D.; Casanova, J.,
Composition and chemical variability of the needle essential oil of Pinus nigra subsp. laricio from corsica,
Flavour Fragr. J., 2001, 16, 5, 379-383, https://doi.org/10.1002/ffj.1018
. [all data]
Choi and Sawamura, 2000
Choi, H.-S.; Sawamura, M.,
Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu),
J. Agric. Food Chem., 2000, 48, 10, 4868-4873, https://doi.org/10.1021/jf000651e
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Lota, de Rocca Serra, et al., 2000
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Casanova, J.,
Chemical variability of peel and leaf essential oils of mandarins from Citrus reticulata Blanco,
Biochem. Syst. Ecol., 2000, 28, 1, 61-78, https://doi.org/10.1016/S0305-1978(99)00036-8
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Stashenko, Cervantes, et al., 1999
Stashenko, E.E.; Cervantes, M.; Combariza, Y.; Fuentes, H.; Martínez, J.R.,
HRGC/FID and HRGC/MSD analysis of the secondary metabolites obtained by different extraction methods from Lepechinia schiedeana, an in vitro evaluation of its antioxidant activity,
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Mariotti, Costa, et al., 1997
Mariotti, J.P.; Costa, J.; Bianchini, A.; Bernardini, A.F.; Casanova, J.,
Composition and variability of the essential oil of Stachys glutinosa L. from Corsica (France),
Flavour Fragr. J., 1997, 12, 3, 205-209, https://doi.org/10.1002/(SICI)1099-1026(199705)12:3<205::AID-FFJ636>3.0.CO;2-I
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Chyau, Mau, et al., 1996
Chyau, C.-C.; Mau, J.-L.; Wu, C.-M.,
Characteristics of the steam-distilled oil and carbon dioxide extract of Zanthoxylum simulans and fruits,
J. Agric. Food Chem., 1996, 44, 4, 1096-1099, https://doi.org/10.1021/jf950577d
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Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
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Shiratsuchi, Shimoda, et al., 1993
Shiratsuchi, H.; Shimoda, M.; Minegishi, Y.; Osajima, Y.,
Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1,
J. Agric. Food Chem., 1993, 41, 4, 647-652, https://doi.org/10.1021/jf00028a027
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Le Quere and Latrasse, 1990
Le Quere, J.-L.; Latrasse, A.,
Composition of the Essential Oils of Blackcurrant Buds (Ribes nigrum L.),
J. Agric. Food Chem., 1990, 38, 1, 3-10, https://doi.org/10.1021/jf00091a001
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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