Phenol, 2-methoxy-4-(1-propenyl)-
- Formula: C10H12O2
- Molecular weight: 164.2011
- IUPAC Standard InChIKey: BJIOGJUNALELMI-UHFFFAOYSA-N
- CAS Registry Number: 97-54-1
- 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: Isoeugenol; Phenol, 2-methoxy-4-propenyl-; 2-Methoxy-4-(1-propenyl)phenol; 2-Methoxy-4-propenylphenol; 4-Hydroxy-3-methoxypropenylbenzene; 4-Propenylguaiacol; Isoeugenol,c&t; 3-Methoxy-4-hydroxy-1-propenylbenzene; 1-Hydroxy-2-methoxy-4-propenylbenzene; 4-Hydroxy-3-methoxy-1-propenylbenzene; NCI-C60979; 1-(3-Methoxy-4-hydroxyphenyl)-1-propene; NSC 6769; Phenol, 2-methoxy-4-(1-propen-1-yl)-; Isoeugenol (I); Isoeugenol (II); 4-(1-Propenyl)-2-methoxyphenol (cis-isoeugenol); trans-Isoeugenol; Propenyl guaiacol; 2-Methoxy-4-propenylphenol (isoeugenol); o-Eugenol, isomer; 2-Methoxy-4-(1-propenyl)phenol (isoeugenol)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Normal alkane RI, non-polar column, custom temperature program
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 | ZB-1 MS | DB-1 | HP-5 | HP-5 | HP-5 |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 50 0C 3 0C/min -> 150 0C (10 min) 10 0C/min -> 250 0C | 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min) | 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) | not specified | 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C |
I | 1410. | 1427. | 1402. | 1408. | 1451. |
Reference | Al-Reza, Rahman, et al., 2010 | Delort and Jaquier, 2009 | Zhao, Li, et al., 2008 | Zhao, Li, et al., 2008 | Jordan, Martinez, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SE-54 | HP-5 | HP-5 | HP-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40C (5min) => 2C/min => 250C(15min) => 5C/min => 270C (10min) | 40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min) | 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C | 60C (4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C | 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
I | 1404. | 1460. | 1451. | 1451. | 1456. |
Reference | Massardo, Senatore, et al., 2006 | Buettner, 2004 | Sotomayor, Martínez, et al., 2004 | Jordán, Martínez, et al., 2003 | Ansorena, Gimeno, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | HP-5 | DB-1 | DB-5 | OV-101 |
Column length (m) | 30. | 30. | 30. | |
Carrier gas | He | H2 | ||
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | ||
Program | 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) | 40 0C 3 K/min -> 175 0C 15 K/min -> 240 0C (10 min) | not specified | not specified |
I | 1454. | 1422. | 1460. | 1438. |
Reference | Ansorena, Astiasarán, et al., 2000 | Dorman, Figueiredo, et al., 2000 | Garneau, Bouhajib, et al., 1994 | Shibamoto, 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Al-Reza, Rahman, et al., 2010
Al-Reza, S.M.; Rahman, A.; Lee, J.; Kang, S.C.,
Potential roles of essential oil and organic extracts of Zizyphus jujuba in inhibiting food-borne pathogens,
Food Chem., 2010, 119, 3, 981-986, https://doi.org/10.1016/j.foodchem.2009.07.059
. [all data]
Delort and Jaquier, 2009
Delort, E.; Jaquier, A.,
Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract,
Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922
. [all data]
Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G.,
EXtraction, preparation and identification of volatile compounds in Changyu XO brandy,
Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0
. [all data]
Jordan, Martinez, et al., 2006
Jordan, M.J.; Martinez, R.M.; Goodner, K.L.; Baldwin, E.A.; Sotomayor, J.A.,
Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition,
Ind. Crops Prod., 2006, 24, 3, 253-263, https://doi.org/10.1016/j.indcrop.2006.06.011
. [all data]
Massardo, Senatore, et al., 2006
Massardo, D.R.; Senatore, F.; Alifano, P.; del Giudice, L.; Pontieri, P.,
Vetiver oil production correlates with early root growth,
Biochem. Syst. Ecol., 2006, 34, 5, 376-382, https://doi.org/10.1016/j.bse.2005.10.016
. [all data]
Buettner, 2004
Buettner, A.,
Investigation of potent odorants and afterodor development in two chardonnay wines using the Buccal Odor Screening System (BOSS),
J. Agric. Food Chem., 2004, 52, 8, 2339-2346, https://doi.org/10.1021/jf035322b
. [all data]
Sotomayor, Martínez, et al., 2004
Sotomayor, J.A.; Martínez, R.M.; García, A.J.; Jordán, M.J.,
Thymus zygis Subsp. Gracilis: watering level effect on phytomass production and essential oil quality,
J. Agric. Food Chem., 2004, 52, 17, 5418-5424, https://doi.org/10.1021/jf0496245
. [all data]
Jordán, Martínez, et al., 2003
Jordán, M.J.; Martínez, R.M.; Cases, M.A.; Sotomayor. J.A.,
Watering level effect on Thymus hyemalis lange essential oil yield and composition,
J. Agric. Food Chem., 2003, 51, 18, 5420-5427, https://doi.org/10.1021/jf034335m
. [all data]
Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J.,
Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona,
Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2
. [all data]
Ansorena, Astiasarán, et al., 2000
Ansorena, D.; Astiasarán, I.; Bello, J.,
Influence of the simultaneous addition of the protease flavourzyme and the lipase novozyme 677BG on dry fermented sausage compounds extracted by SDE and analyzed by GC-MS,
J. Agric. Food Chem., 2000, 48, 6, 2395-2400, https://doi.org/10.1021/jf990931y
. [all data]
Dorman, Figueiredo, et al., 2000
Dorman, H.J.D.; Figueiredo, A.C.; Barroso, J.G.; Deans, S.G.,
In vitro evaluation of antioxidant activity of essential oils and their components,
Flavour Fragr. J., 2000, 15, 1, 12-16, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<12::AID-FFJ858>3.0.CO;2-V
. [all data]
Garneau, Bouhajib, et al., 1994
Garneau, F.X.; Bouhajib, M.; Collin, G.J.; Gagnon, M.; ApSimon, J.W.,
The glycosidically bound volatile compounds of Picea mariana (Mill.) B.S.P.,
J. Essent. Oil Res., 1994, 6, 1, 43-46, https://doi.org/10.1080/10412905.1994.9698323
. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.