2-Propen-1-ol, 3-phenyl-, acetate, (E)-
- Formula: C11H12O2
- Molecular weight: 176.2118
- IUPAC Standard InChI: InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+
- IUPAC Standard InChIKey: WJSDHUCWMSHDCR-VMPITWQZSA-N
- CAS Registry Number: 21040-45-9
- 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: (2E)-3-Phenyl-2-propenyl acetate; (E)-Cinnamyl acetate; trans-Cinnamyl acetate; Cinnamyl alcohol, acetate, (E)-
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Gas Chromatography
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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 | SPB-1 | 1430. | Jayaprakasha, Rao, et al., 2002 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 225. C @ 5. min |
| Capillary | SPB-1 | 1434. | 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, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 2182. | Wong and Teng, 1994 | He, 35. C @ 5. min, 3. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1439. | Boyom, Assembe, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min, 200. C @ 0. min; Tstart: 50. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1444. | Isidorov, Krajewska, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50C => 6C/min => 100C => 4C/min => 280C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1452. | Pripdeevech and Saansoomchai, 2013 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 230. C |
| Capillary | HP-5 | 1448. | Farsam, Amanlou, et al., 2007 | 30. m/0.25 mm/0.26 μm, Helium, 60. C @ 2. min, 4. K/min, 240. C @ 20. min |
| Capillary | DB-5MS | 1420. | Marongiu B., Piras A., et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C |
| Capillary | HP-5 | 1446. | Simic, Sokovic, et al., 2004 | 25. m/0.32 mm/0.52 μm, H2, 4. K/min; Tstart: 40. C; Tend: 240. C |
| Capillary | DB-1 | 1400. | Fekam Boyom, Ngouana, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | Methyl Silicone | 1430. | Jayaprakasha, Rao, et al., 2003 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 250. C @ 5. min |
| Capillary | DB-1 | 1414. | Salgueiro, Vila, et al., 1997 | 6. K/min; Tstart: 80. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-5 | 1449. | Leela, Vipin, et al., 2009 | 30. m/0.25 mm/0.25 μm, Nitrogen; Program: 60 0C 95 min) 110 0C 3 0C/min -> 200 0C 5 0C/min -> 220 0C 95 min) |
| Capillary | RTX-5 | 1443. | Leela, Vipin, et al., 2009 | 30. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified |
| Capillary | SE-52 | 1446. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | DB-1 | 1414. | Baratta, Dorman, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 240C (10min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Jayaprakasha, Rao, et al., 2002
Jayaprakasha, G.K.; Rao, L.J.; Sakariah, K.K.,
Chemical composition of volatile oil from Cinnamomum zeylanicum buds,
Z. Naturforsch. C:, 2002, 57c, 990-993, retrieved from http://www.znaturforsch.com/57c/s57c0990.pdf. [all data]
Jayaprakasha, Jaganmohan Rao, et al., 1997
Jayaprakasha, G.K.; Jaganmohan Rao, L.; Sakariah, K.K.,
Chemical composition of the volatile oil from the fruits of Cinnamomum zeylanicum blume,
Flavour Fragr. J., 1997, 12, 5, 331-333, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<331::AID-FFJ663>3.0.CO;2-X
. [all data]
Wong and Teng, 1994
Wong, K.C.; Teng, Y.E.,
Volatile Components of Mimusops elengi L. Flowers,
J. Essent. Oil Res., 1994, 6, 5, 453-458, https://doi.org/10.1080/10412905.1994.9698425
. [all data]
Boyom, Assembe, et al., 2003
Boyom, F.F.; Assembe, E.Z.; Zollo, P.H.A.; Agnaniet, H.; Menut, C.; Bessière, J.M.,
Aromatic plants of tropical central Africa. Part XLII. Volatile components from Antidesma laciniatum Muell. Arg. Var. laciniatum growing in Cameroon,
Flavour Fragr. J., 2003, 18, 5, 451-453, https://doi.org/10.1002/ffj.1251
. [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]
Pripdeevech and Saansoomchai, 2013
Pripdeevech, P.; Saansoomchai, J.,
Antibacterial activity and chemical composition of essential oil and various extracts of Fagraea fragrans Roxb. flowers,
Chiang Mai J. Sci., 2013, 40, 2, 214-223. [all data]
Farsam, Amanlou, et al., 2007
Farsam, H.; Amanlou, M.; Taghi-Cheetsaz, N.; Amin, G.R.; Saledi-Sormaghi, M.H.,
Essential Oil of Chimonanthus fragrans flowers Population of Tehran,
DARU, 2007, 15, 3, 129-131. [all data]
Marongiu B., Piras A., et al., 2007
Marongiu B.; Piras A.; Porcedda S.; Tuveri E.; Sanjust E.; Meli M.; Sollai F.; Zucca P.; Rescigno A.,
Supercritical CO2 extract of Cinnamomum zeylanicum: Chemical characterization and antityrosinase activity,
J. Agric. Food Chem., 2007, 55, 24, 10022-10027, https://doi.org/10.1021/jf071938f
. [all data]
Simic, Sokovic, et al., 2004
Simic, A.; Sokovic, M.D.; Ristic, M.; Grujic-Jovanovic, S.; Vukojevic, J.; Marin, P.D.,
The chemical composition of some Lauraceae essential oils and their antifungal activities,
Phytother. Res., 2004, 18, 9, 713-717, https://doi.org/10.1002/ptr.1516
. [all data]
Fekam Boyom, Ngouana, et al., 2003
Fekam Boyom, F.; Ngouana, V.; Amvam Zollo, P.H.; Menut, C.; Bessiere, J.M.; Gut, J.; Rosenthal, P.J.,
Composition and anti-plasmodial activities of essential oils from some Cameroonian medicinal plants,
Phytochemistry, 2003, 64, 7, 1269-1275, https://doi.org/10.1016/j.phytochem.2003.08.004
. [all data]
Jayaprakasha, Rao, et al., 2003
Jayaprakasha, G.K.; Rao, L.J.M.; Sakariah, K.K.,
Volatile constituents from Cinnamomum zeylanicum fruit stalks and their antioxidant activities,
J. Agric. Food Chem., 2003, 51, 15, 4344-4348, https://doi.org/10.1021/jf034169i
. [all data]
Salgueiro, Vila, et al., 1997
Salgueiro, L.R.; Vila, R.; Tomi, F.; Figueiredo, A.C.; Barroso, J.G.; Cañigueral, S.; Casanova, J.; da Cunha, A.P.; Adzet, T.,
Variability of essential oils of Thymus caespititius from Portugal,
Phytochemistry, 1997, 45, 2, 307-311, https://doi.org/10.1016/S0031-9422(96)00872-2
. [all data]
Leela, Vipin, et al., 2009
Leela, N.K.; Vipin, T.M.; Shafeekh, K.M.; Priyanka, V.; Rema, J.,
Chemical composition of essential oils from aerial parts of Cinnamomum malabatrum (Burman f.) Bercht Presl.,
Flavor Fragr. J., 2009, 24, 1, 13-16, https://doi.org/10.1002/ffj.1910
. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
Baratta, Dorman, et al., 1998
Baratta, M.T.; Dorman, H.J.; Deans, S.G.; Figueiredo, A.C.; Barroso, J.G.; Ruberto, G.,
Antimicrobial and antioxidant properties of some commercial essential oils,
Flavour Fragr. J., 1998, 13, 4, 235-244, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<235::AID-FFJ733>3.0.CO;2-T
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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