Phenol, 4-(2-propenyl)-
- Formula: C9H10O
- Molecular weight: 134.1751
- IUPAC Standard InChI: InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2
- IUPAC Standard InChIKey: RGIBXDHONMXTLI-UHFFFAOYSA-N
- CAS Registry Number: 501-92-8
- 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: γ-(p-Hydroxyphenyl)-α-propylene; p-Allylphenol; p-Hydroxyallylbenzene; Chavicol; Phenol, p-allyl-; 4-Allylphenol; 4-(2-Propenyl)phenol; 4-(Prop-2-enyl)-phenol; p-Chavicol
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- Other data available:
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Normal alkane RI, non-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 | RTX-1 | HP-5 MS | HP-5 | DB-5MS | SE-54 |
| Column length (m) | 60. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Nitrogen | He | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 100. | 50. | 50. | 60. |
| Tend (C) | 230. | 220. | 280. | 250. | 260. |
| Heat rate (K/min) | 2. | 2. | 5. | 2. | 2. |
| Initial hold (min) | 1. | 5. | 5. | ||
| Final hold (min) | 30. | 1. | 20. | ||
| I | 1219. | 1259. | 1260. | 1258. | 1260. |
| Reference | Dib, Djabou, et al., 2010 | Pripdeevech, Chumpolsri, et al., 2010 | Bousaada, Ammar, et al., 2008 | Cheng, Liu, et al., 2008 | Alma, Ertas, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | ZB-5 | Elite-5MS | DB-5 | HP-1 | RSL-200 |
| Column length (m) | 30. | 30. | 30. | 50. | 30. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 40. | 60. | 40. |
| Tend (C) | 220. | 280. | 250. | 250. | 280. |
| Heat rate (K/min) | 4. | 4. | 4. | 2. | 6. |
| Initial hold (min) | 5. | 5. | 2. | 60. | 2. |
| Final hold (min) | 20. | 10. | 5. | 10. | |
| I | 1259. | 1255. | 1265. | 1229. | 1249. |
| Reference | Mohottalage, Tabacchi, et al., 2007 | Tava, Pecetti, et al., 2007 | Xu, Fan, et al., 2007 | Fernandez, Lizzani-Cuvelier, et al., 2005 | Jirovetz, Buchbauer, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-1 | SPB-1 | DB-5 | RSL-200 | DB-1 |
| Column length (m) | 30. | 50. | 30. | 30. | 50. |
| Carrier gas | N2 | He | He | H2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.2 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 60. | 40. | 95. |
| Tend (C) | 220. | 220. | 240. | 280. | 240. |
| Heat rate (K/min) | 5. | 4. | 3. | 6. | 4. |
| Initial hold (min) | 3. | 2. | |||
| Final hold (min) | 15. | 30. | 10. | ||
| I | 1233. | 1231. | 1251. | 1249. | 1252. |
| Reference | Srivastava, Srivastava, et al., 2005 | Wong, Lee, et al., 2005 | Tellez, Khan, et al., 2004 | Jirovetz, Buchbauer, et al., 2003 | Perez-Alonso, Velasco-Negueruela, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | CBP-1 |
| Column length (m) | 25. |
| Carrier gas | Nitrogen |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 50. |
| Tend (C) | 210. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | 2. |
| Final hold (min) | |
| I | 1237. |
| Reference | Ly, Yamauchi, et al., 2001 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J.,
Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation,
Chem, Centr. J., 2010, 4, 16, 1-15. [all data]
Pripdeevech, Chumpolsri, et al., 2010
Pripdeevech, P.; Chumpolsri, W.; Suttiarporn, P.; Wongpornchai, S.,
The chemical composition and antioxidant activities of Basil from Thailand using retention indices and comprehensive two-dimensional gas chromatography,
J. Seb. Chem. Soc., 2010, 75, 11, 1503-1513, https://doi.org/10.2298/JSC100203125P
. [all data]
Bousaada, Ammar, et al., 2008
Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z.,
Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia,
Microbiol. Res., 2008, 163, 1, 87-95, https://doi.org/10.1016/j.micres.2007.02.010
. [all data]
Cheng, Liu, et al., 2008
Cheng, S.-S.; Liu, J.-Y.; Lin, C.-Y.; Hsui, Y.-R.; Lu, M.-C.; Wu, W.-J.; Chang, S.-T.,
Terminating red imported fire ants using Cinnamomum osmophloeum leaf essential oil,
Bioresour. Technol., 2008, 99, 4, 889-893, https://doi.org/10.1016/j.biortech.2007.01.039
. [all data]
Alma, Ertas, et al., 2007
Alma, M.H.; Ertas, M.; Nitz, S.; Kollmannsberger, H.,
Chemical composition and content of essential oil from the bud of cultivated Turkish clove (Syzygium aromaticum L.),
BioResources, 2007, 2, 2, 265-269. [all data]
Mohottalage, Tabacchi, et al., 2007
Mohottalage, S.; Tabacchi, R.; Guerin, P.M.,
Components from Sri Lankan Piper betle L. leaf oil and their analogues showing toxicity against the housefly, Musca domestica,
Flavour Fragr. J., 2007, 22, 2, 130-138, https://doi.org/10.1002/ffj.1770
. [all data]
Tava, Pecetti, et al., 2007
Tava, A.; Pecetti, L.; Ricci, M.; Pagnotta, M.A.; Russi, L.,
Volatile compounds from leaves and flowers of Bituminaria bituminosa (L.) Stirt. (Fabaceae) from Italy,
Flavour Fragr. J., 2007, 22, 5, 363-370, https://doi.org/10.1002/ffj.1806
. [all data]
Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732
. [all data]
Fernandez, Lizzani-Cuvelier, et al., 2005
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F.,
Chemical composition of the essential oils from Turkish and Honduras Styrax,
Flavour Fragr. J., 2005, 20, 1, 70-73, https://doi.org/10.1002/ffj.1370
. [all data]
Jirovetz, Buchbauer, et al., 2005
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.; Georgiev, E.V.; Damianova, S.T.,
Composition, quality control and antimicrobial activity of the essential oil of cumin (Cuminum cyminumL.) seeds from Bulgaria that had been stored for up to 36 years,
Int. J. Food Sci. Technol., 2005, 40, 3, 305-310, https://doi.org/10.1111/j.1365-2621.2004.00915.x
. [all data]
Srivastava, Srivastava, et al., 2005
Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V.,
Bud and leaf essential oil composition of Syzygium aromaticum from India and Madagascar,
Flavour Fragr. J., 2005, 20, 1, 51-53, https://doi.org/10.1002/ffj.1364
. [all data]
Wong, Lee, et al., 2005
Wong, K.C.; Lee, B.C.; Lam, N.F.; Ibrahim, P.,
Essential oils of the rhizomes of Alpinia conchigera Griff. and Alpinia latilabris Ridl.,
Flavour Fragr. J., 2005, 20, 4, 431-433, https://doi.org/10.1002/ffj.1458
. [all data]
Tellez, Khan, et al., 2004
Tellez, M.R.; Khan, I.A.; Schaneberg, B.T.; Crockett, S.L.; Rimando, A.M.; Kobaisy, M.,
Steam distillation-solid-phase microextraction for the detection of Ephedra sinica in herbal preparations,
J. Chromatogr. A, 2004, 1025, 1, 51-56, https://doi.org/10.1016/S0021-9673(03)01035-5
. [all data]
Jirovetz, Buchbauer, et al., 2003
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.S.; Georgiev, E.V.; Damianova, S.T.,
Composition, quality control, and antimicrobial activity of the essential oil of long-time stored dill (Anethum graveolens L.) seeds from Bulgaria,
J. Agric. Food Chem., 2003, 51, 13, 3854-3857, https://doi.org/10.1021/jf030004y
. [all data]
Perez-Alonso, Velasco-Negueruela, et al., 2003
Perez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, J.; Sanz, J.,
Variations in the essential oil composition of Artemisia pedemontana gathered in Spain: chemotype camphor-1,8-cineole and chemotype davanone,
Biochem. Syst. Ecol., 2003, 31, 1, 77-84, https://doi.org/10.1016/S0305-1978(02)00082-0
. [all data]
Ly, Yamauchi, et al., 2001
Ly, T.N.; Yamauchi, R.; KAto, K.,
Volatile components of the essential oils in Galanga (Alpina officinarum Hance) from Vietnam,
Food Sci. Technol. Res., 2001, 7, 4, 303-306, https://doi.org/10.3136/fstr.7.303
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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