trans-Sabinyl acetate

Formula: C₁₂H₁₈O₂
Molecular weight: 194.2701
IUPAC Standard InChI: InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3/t10?,11-,12+/m1/s1
IUPAC Standard InChIKey: PBWRFXQNNGSAQG-SAIIYOCFSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
Other names: (E)-Sabinyl acetate; Sabinyl acetate, trans
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Gas Chromatography

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	SE-30	1281.	Palá-Paúl, Velasco-Negueruela, et al., 2002	25. m/0.22 mm/0.25 μm, He, 4. K/min; T_start: 70. C; T_end: 220. C
Capillary	SE-54	1290.	Adams, 2000	30. m/0.26 mm/0.25 μm, 3. K/min; T_start: 60. C; T_end: 246. C
Capillary	DB-5	1290.	Adams, 2000, 2	30. m/0.26 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 246. C
Capillary	DB-5	1290.	Adams, 1999	30. m/0.26 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 246. C
Capillary	BP-1	1276.	Vera and Chane-Ming, 1999	50. m/0.25 mm/0.25 μm, 2. K/min; T_start: 60. C; T_end: 260. C
Capillary	BP-1	1278.	Vera and Chane-Ming, 1999	50. m/0.25 mm/0.25 μm, 2. K/min; T_start: 60. C; T_end: 260. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5MS	1283.	Tuberoso, Kowalczyk, et al., 2005	30. m/0.25 mm/0.25 μm, He; Program: 60C(5min) => 2C/min => 140C= 5C/min => 250C(5min)

Kovats' RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1643.	Vera and Chane-Ming, 1999	50. m/0.32 mm/0.2 μm, 2. K/min; T_start: 60. C; T_end: 260. C
Capillary	Carbowax 20M	1651.	Vera and Chane-Ming, 1999	50. m/0.32 mm/0.2 μm, 2. K/min; T_start: 60. C; T_end: 260. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	SPB-1	1264.	Blagojevic, Radulovic, et al., 2006	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
Capillary	DB-5	1290.	Blagojevic, Radulovic, et al., 2006	30. m/0.2 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
Capillary	DB-5	1291.	Su, Ho, et al., 2006	30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min; T_end: 250. C
Capillary	OV-1	1270.	Bicchi, Rubiolo, et al., 1998	25. m/0.25 mm/0.3 μm, 50. C @ 1. min, 3. K/min, 200. C @ 20. min
Capillary	DB-5	1292.	Isidorov, Zenkevich, et al., 1998	30. m/0.25 mm/0.25 μm, 3. K/min; T_start: 50. C; T_end: 250. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	SE-52	1291.	Bruni, Bianchi, et al., 2007	30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C(10min)
Capillary	HP-5	1291.	Isidorov, Krajewska, et al., 2001	30. m/0.25 mm/0.25 μm, He; Program: 50C => 6C/min => 100C => 4C/min => 280C

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1657.	Bicchi, Rubiolo, et al., 1998	25. m/0.25 mm/0.3 μm, H2, 50. C @ 1. min, 3. K/min, 200. C @ 20. min

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	RTX-1	1274.	Museli, Pau, et al., 2009	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	RTX-1	1278.	Museli, Pau, et al., 2009	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	CP Sil 5 CB	1278.	Baran, von Reuss, et al., 2007	30. m/0.32 mm/0.25 μm, N2, 4. K/min; T_start: 60. C; T_end: 300. C
Capillary	HP-5MS	1294.	Ebrahim Sajjadi and Mehregan, 2006	30. m/0.25 mm/0.25 μm, 4. K/min; T_start: 60. C; T_end: 280. C
Capillary	HP-1	1272.	Filippi, Lanfranchi, et al., 2006	50. m/0.2 mm/0.33 μm, He, 2. K/min, 250. C @ 40. min; T_start: 60. C
Capillary	NB-30	1273.	Orav, Raal, et al., 2006	30. m/0.2 mm/0.25 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C
Capillary	HP-5	1323.	Pintore G., Chessa M., et al., 2006	30. m/0.25 mm/0.25 μm, He, 60. C @ 10. min, 5. K/min; T_end: 220. C
Capillary	DB-1	1271.	Rasooli and Owlia, 2005	60. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 50. C; T_end: 250. C
Capillary	DB-5	1292.	Salehi, Sefidkon, et al., 2005	30. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 3. K/min; T_end: 220. C
Capillary	DB-1	1271.	Rasooli and Razzaghi Abyaneh, 2004	60. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 50. C; T_end: 250. C
Capillary	DB-5	1291.	Rohloff, Mordal, et al., 2004	30. m/0.25 mm/0.25 μm, He, 2.5 K/min, 220. C @ 6. min; T_start: 35. C
Capillary	HP-5MS	1291.	Afsharypuor and Jahromy, 2003	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 60. C; T_end: 275. C
Capillary	RTX-5Sil	1298.	Dudai, Larkov, et al., 2003	30. m/0.25 mm/0.25 μm, He, 4. K/min, 200. C @ 10. min; T_start: 70. C
Capillary	HP-5	1296.	Ghannadi and Zolfaghari, 2003	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 60. C; T_end: 275. C
Capillary	HP-5	1275.	Pitarokili, Tzakou, et al., 2003	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 280. C
Capillary	DB-5	1290.	Bos, Koulman, et al., 2002	30. m/0.249 mm/0.25 μm, He, 3. K/min, 300. C @ 5. min; T_start: 60. C
Capillary	DB-1	1290.	Koulman, 1999	25. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 50. C; T_end: 290. C
Capillary	CP Sil 5 CB	1282.	Kaul, Singh, et al., 1993	5. K/min; Column length: 25. m; Column diameter: 0.25 mm; T_start: 60. C; T_end: 280. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	BPX-5	1291.	Judzentiene and Mockute, 2005	30. m/0.25 mm/0.25 μm; Program: 60C(0.2min) => 3K/min => 186C => 10C/min => 240C (5min)
Capillary	CP Sil 8 CB	1291.	Judpentienë and Mockutë, 2004	50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min)
Capillary	HP-5MS	1291.	Sahin, Gulluce, et al., 2004	30. m/0.25 mm/0.25 μm, He; Program: 50C(3min) => 3C/min => 150C(10min) => 10C/min => 250C
Capillary	HP-5	1291.	Tepe, Donmez, et al., 2004	30. m/0.25 mm/0.25 μm, He; Program: 50C (3min) => 3C/min => 150C (10min) => 10C/min => 250C
Capillary	SE-30	1277.	Vinogradov, 2004	Program: not specified
Capillary	CP Sil 8 CB	1291.	Mockute and Judzentiene, 2003	50. m/0.32 mm/0.25 μm, He; Program: 70C(5min) => 3C/min => 100C (1min) => 25C/min => 250C (10min)
Capillary	CP Sil 8 CB	1291.	Mockute, Nivinskiene, et al., 2003	50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 5C/min => 160C => 10C/min => 250C(5min)
Capillary	Methyl Silicone	1277.	Zenkevich, 1999	Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	RTX-Wax	1622.	Museli, Pau, et al., 2009	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	HP-20M	1609.	Filippi, Lanfranchi, et al., 2006	50. m/0.2 mm/0.1 μm, He, 2. K/min, 220. C @ 30. min; T_start: 60. C
Capillary	NB-20M	1667.	Orav, Raal, et al., 2006	30. m/0.2 mm/0.25 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1664.	Vinogradov, 2004	Program: not specified

References

Go To: Top, Gas Chromatography, Notes

Palá-Paúl, Velasco-Negueruela, et al., 2002
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Sanz, J., Essential oil composition of the aerial parts of Cachrys sicula L., Flavour Fragr. J., 2002, 17, 1, 64-68, https://doi.org/10.1002/ffj.1042 . [all data]

Adams, 2000
Adams, R.P., Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4 . [all data]

Adams, 2000, 2
Adams, R.P., The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3 . [all data]

Adams, 1999
Adams, R.P., Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting, Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2 . [all data]

Vera and Chane-Ming, 1999
Vera, R.R.; Chane-Ming, J., Chemical composition of the essential oil of marjoram (Origanum majorana L.) from Reunion Island, Food Chem., 1999, 66, 2, 143-145, https://doi.org/10.1016/S0308-8146(98)00018-1 . [all data]

Tuberoso, Kowalczyk, et al., 2005
Tuberoso, C.I.G.; Kowalczyk, A.; Coroneo, V.; Russo, M.T.; Dessì, S.; Cabras, P., Chemical Composition and Antioxidant, Antimicrobial, and Antifungal Activities of the Essential Oil of Achillea ligustica All., J. Agric. Food Chem., 2005, 53, 26, 10148-10153, https://doi.org/10.1021/jf0518913 . [all data]

Blagojevic, Radulovic, et al., 2006
Blagojevic, P.; Radulovic, N.; Palic, R.; Stojanovic, G., Chemical composition of the essential oils of Serbian wild-growing Srtemisia absinthium and Artemisia vulgaris, J. Agric. Food Chem., 2006, 54, 13, 4780-4789, https://doi.org/10.1021/jf060123o . [all data]

Su, Ho, et al., 2006
Su, Y.C.; Ho, C.L.; Wang, E.I.C., Analysis of leaf essential oils from the indigenous five conifers of Taiwan, Flavour Fragr. J., 2006, 21, 3, 447-452, https://doi.org/10.1002/ffj.1685 . [all data]

Bicchi, Rubiolo, et al., 1998
Bicchi, C.; Rubiolo, P.; Marschall, H.; Weyerstahl, P.; Laurent, R., Constituents of Artemisia roxburghiana Besser essential oil, Flavour Fragr. J., 1998, 13, 1, 40-46, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<40::AID-FFJ688>3.0.CO;2-Z . [all data]

Isidorov, Zenkevich, et al., 1998
Isidorov, V.A.; Zenkevich, I.G.; Dubis, E.N.; Slowikowski, A.; Wojciuk, E., Group identification of essential oils components using partition coefficients in a hexane-acetonitrile system, J. Chromatogr. A, 1998, 814, 1-2, 253-260, https://doi.org/10.1016/S0021-9673(98)00398-7 . [all data]

Bruni, Bianchi, et al., 2007
Bruni, R.; Bianchi, A.; Bellardi, M.G., Essential oil composition of Agastache anethiodora Britton (Lamiaceae) infected by cucumber mosaic virus (CMV), Flavour Fragr. J., 2007, 22, 1, 66-70, https://doi.org/10.1002/ffj.1760 . [all data]

Isidorov, Krajewska, et al., 2001
Isidorov, V.A.; Krajewska, U.; Dubis, E.N.; Jdanova, M.A., Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system, J. Chromatogr. A, 2001, 923, 1-2, 127-136, https://doi.org/10.1016/S0021-9673(01)00929-3 . [all data]

Museli, Pau, et al., 2009
Museli, A.; Pau, M.; Desjobert, J.-M.; Foddai, M.; Usai, M.; Costa, J., Volatile constituents of Achllea ligustica All. by HS-SPME/GC/GC-MS. Comparison with essential oils obtained by hydrodistillation from Corsica and Sardinia, Chromatographia, 2009, 69, 5/6, 575-585, https://doi.org/10.1365/s10337-008-0939-1 . [all data]

Baran, von Reuss, et al., 2007
Baran, S.; von Reuss, S.H.; König, W.A.; Kalemba, D., Composition of the essential oil of Abies koreana Wils., Flavour Fragr. J., 2007, 22, 1, 78-83, https://doi.org/10.1002/ffj.1762 . [all data]

Ebrahim Sajjadi and Mehregan, 2006
Ebrahim Sajjadi, S.; Mehregan, I., Volatile constituents of flowers and leaves of Anthemis hyalina, Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 5, 531-533, https://doi.org/10.1007/s10600-006-0207-2 . [all data]

Filippi, Lanfranchi, et al., 2006
Filippi, J.-J.; Lanfranchi, D.-A.; Prado, S.; Baldovini, N.; Meierhenrich, U.J., Composition, Enantiomeric Distribution, and Antibacterial Activity of the Essential Oil of Achillea ligustica All. from Corsica, J. Agric. Food Chem., 2006, 54, 17, 6308-6313, https://doi.org/10.1021/jf060752y . [all data]

Orav, Raal, et al., 2006
Orav, A.; Raal, A.; Arak, E.; Müürisepp, M.; Kailas, T., Composition of the essential oil of Artemisia absinthium L. of different geographical origin, Proc. Est. Acad. Sci. Chem., 2006, 55, 3, 155-165. [all data]

Pintore G., Chessa M., et al., 2006
Pintore G.; Chessa M.; Manconi P.; Zanetti S.; Deriu A.; Tirillini B., Chemical composition and antimicrobial activities of essential oil of stachys glutinosa L. from Sardinia, Natural Product Communications, 2006, 1, 12, 1133-1136. [all data]

Rasooli and Owlia, 2005
Rasooli, I.; Owlia, P., Chemoprevention by thyme oils of Aspergillus parasiticus growth and aflatoxin production, Phytochemistry, 2005, 66, 24, 2851-2856, https://doi.org/10.1016/j.phytochem.2005.09.029 . [all data]

Salehi, Sefidkon, et al., 2005
Salehi, P.; Sefidkon, F.; Bazzaz Tolami, L.; Sonboli, A., Essential oil composition of Salvia palaestina Benth. from Iran, Flavour Fragr. J., 2005, 20, 5, 525-527, https://doi.org/10.1002/ffj.1448 . [all data]

Rasooli and Razzaghi Abyaneh, 2004
Rasooli, I.; Razzaghi Abyaneh, M., Inhibitory effects of Thyme oils on growth and aflatoxin production by Aspergillus parasiticus, Food Control, 2004, 15, 6, 479-483, https://doi.org/10.1016/j.foodcont.2003.07.002 . [all data]

Rohloff, Mordal, et al., 2004
Rohloff, J.; Mordal, R.; Dragland, S., Chemotypical variation of tansy (Tanacetum vulgare L.) from 40 different locations in Norway, J. Agric. Food Chem., 2004, 52, 6, 1742-1748, https://doi.org/10.1021/jf0352430 . [all data]

Afsharypuor and Jahromy, 2003
Afsharypuor, S.; Jahromy, M.M., Constituents of the essential oil from Tanacetum lingulatum (Boiss.) Bornm., J. Essent. Oil Res., 2003, 15, 2, 74-76, https://doi.org/10.1080/10412905.2003.9712069 . [all data]

Dudai, Larkov, et al., 2003
Dudai, N.; Larkov, O.; Chaimovitsh, D.; Lewinsohn, E.; Freiman, L.; Ravid, U., Essential oil compounds of Origanum dayi Post, Flavour Fragr. J., 2003, 18, 4, 334-337, https://doi.org/10.1002/ffj.1237 . [all data]

Ghannadi and Zolfaghari, 2003
Ghannadi, A.; Zolfaghari, B., Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran, Flavour Fragr. J., 2003, 18, 3, 237-239, https://doi.org/10.1002/ffj.1215 . [all data]

Pitarokili, Tzakou, et al., 2003
Pitarokili, D.; Tzakou, O.; Loukis, A.; Harvala, C., Volatile metabolites from Salvia fruticosa as antifungal agents in soilborne pathogens, J. Agric. Food Chem., 2003, 51, 11, 3294-3301, https://doi.org/10.1021/jf0211534 . [all data]

Bos, Koulman, et al., 2002
Bos, R.; Koulman, A.; Woerdenbag, H.J.; Quax, W.J.; Pras, N., Volatile components from Anthriscus sylvestris (L.) Hoffm., J. Chromatogr. A, 2002, 966, 1-2, 233-238, https://doi.org/10.1016/S0021-9673(02)00704-5 . [all data]

Koulman, 1999
Koulman, A., Podophyllotoxin: a study of biosynthesis, evolution, function, and use of podophyllotoxin and related lignans, University Library Groningen, Nederlands, 1999, 188, retrieved from http://www.ub.rug.nl/eldoc/dis/science/a.koulman/. [all data]

Kaul, Singh, et al., 1993
Kaul, V.K.; Singh, B.; Sood, R.P., Volatile Constituents of the Essential Oil of Tanacetum longifolium Wall., J. Essent. Oil Res., 1993, 5, 6, 597-601, https://doi.org/10.1080/10412905.1993.9698290 . [all data]

Judzentiene and Mockute, 2005
Judzentiene, A.; Mockute, D., The inflorescence and leaf essential oils of Tanacetum vulgare L. var. vulgare growing wild in Lithuania, Biochem. Syst. Ecol., 2005, 33, 5, 487-498, https://doi.org/10.1016/j.bse.2004.11.003 . [all data]

Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D., Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius, Chemija, 2004, 15, 4, 64-68. [all data]

Sahin, Gulluce, et al., 2004
Sahin, F.; Gulluce, M.; Daferera, D.; Sokmen, A.; Sokmen, M.; Polissiou, M.; Agar, G.; Ozer, H., Biological activities of the essential oils and methanol extract of Origanum vulgare ssp. vulgare in the Eastern Anatolia region of Turkey, Food Control, 2004, 15, 7, 549-557, https://doi.org/10.1016/j.foodcont.2003.08.009 . [all data]

Tepe, Donmez, et al., 2004
Tepe, B.; Donmez, E.; Unlu, M.; Candan, F.; Daferera, D.; Vardar-Unlu, G.; Polissiou, M.; Sokmen, A., Antimicrobial and antioxidative activities of the essential oils and methanol extracts of Salvia cryptantha (Montbret et Aucher ex Benth.) and Salvia multicaulis (Vahl), Food Chem., 2004, 84, 4, 519-525, https://doi.org/10.1016/S0308-8146(03)00267-X . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Mockute and Judzentiene, 2003
Mockute, D.; Judzentiene, A., The myrtenol chemotype of essential oil of Tanacetum vulgare L. var. vulgare (tansy) growing wild in the Vilnius region, Chemija, 2003, 14, 2, 103-107. [all data]

Mockute, Nivinskiene, et al., 2003
Mockute, D.; Nivinskiene, O.; Bernotiene, G.; Butkiene, R., The cis-thujone chemotype of Salvia officinalis L. essential oils, Chemija, 2003, 14, 4, 216-220. [all data]

Zenkevich, 1999
Zenkevich, I.G., Analytical Parameters of Components of essential Oils for their Gas Chromatographic and Chromato-Mass-Spectral Identification. Acetates of Terpene Alcohols, Rastitelnye Resursy (Plant Resources), 1999, 35, 1, 30-37. [all data]

Notes

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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