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)
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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 | DB-Wax Etr | CP-Wax 52CB | Stabilwax | DB-Wax | DB-Wax |
Column length (m) | 30. | 50. | 30. | 30. | 60. |
Carrier gas | He | N2 | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.5 | 0.25 | |
Tstart (C) | 40. | 60. | 40. | 40. | 70. |
Tend (C) | 250. | 220. | 230. | 245. | 230. |
Heat rate (K/min) | 5. | 4. | 4. | 3. | 2. |
Initial hold (min) | 3. | 5. | 2. | 3. | 2. |
Final hold (min) | 15. | 30. | 10. | 20. | 20. |
I | 2350. | 2336. | 2319. | 2356. | 2271. |
Reference | Aubert C. and Pitrat M., 2006 | Mahadevan and Farmer, 2006 | Fang and Qian, 2005 | Aubert, Ambid, et al., 2003 | Choi and Sawamura, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Carbowax 20M | CP-Wax 58CB | Carbowax 20M |
Column length (m) | 30. | 60. | 60. | 30. | 50. |
Carrier gas | H2 | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.425 | 0.22 | |
Tstart (C) | 60. | 50. | 45. | 40. | 50. |
Tend (C) | 220. | 180. | 300. | 220. | 200. |
Heat rate (K/min) | 2. | 2.5 | 3. | 3. | 2. |
Initial hold (min) | 3. | 5. | 3. | 5. | |
Final hold (min) | 20. | 40. | |||
I | 2330. | 2268. | 2322. | 2316. | 2332. |
Reference | Chassagne, Boulanger, et al., 1999 | Stashenko, Prada, et al., 1996 | Mondello, Dugo, et al., 1995 | Pabst, Barron, et al., 1991 | Chen, Kuo, et al., 1986 |
Comment | MSDC-RI | MSDC-RI | 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.
Aubert C. and Pitrat M., 2006
Aubert C.; Pitrat M.,
Volatile compounds in the skin and pulp of Queen Anne's pocket melon,
J. Agric. Food Chem., 2006, 54, 21, 8177-8182, https://doi.org/10.1021/jf061415s
. [all data]
Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L.,
Key Odor Impact Compounds in Three Yeast Extract Pastes,
J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x
. [all data]
Fang and Qian, 2005
Fang, Y.; Qian, M.,
Aroma compounds in Oregon Pinot Noir wine determined by aroma extract dilution analysis (AEDA),
Flavour Fragr. J., 2005, 20, 1, 22-29, https://doi.org/10.1002/ffj.1551
. [all data]
Aubert, Ambid, et al., 2003
Aubert, C.; Ambid, C.; Baumes, R.; Günata, Z.,
Investigation of bound aroma constituents of yellow-fleshed nectarines (Prunus persica L. Cv. Springbright). Changes in bound aroma profile during maturation,
J. Agric. Food Chem., 2003, 51, 21, 6280-6286, https://doi.org/10.1021/jf034613h
. [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
. [all data]
Chassagne, Boulanger, et al., 1999
Chassagne, D.; Boulanger, R.; Crouzet, J.,
Enzymatic hydrolysis of edible Passiflora fruit glycosides,
Food Chem., 1999, 66, 3, 281-288, https://doi.org/10.1016/S0308-8146(99)00044-8
. [all data]
Stashenko, Prada, et al., 1996
Stashenko, E.E.; Prada, N.Q.; Martínez, J.R.,
HRGC/FID/NP and HRGC/MSD study of Colombian Ylang-Ylang (Cananga odorata) oils obtained by different extraction techniques,
J. Hi. Res. Chromatogr., 1996, 19, 6, 353-358, https://doi.org/10.1002/jhrc.1240190609
. [all data]
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
. [all data]
Pabst, Barron, et al., 1991
Pabst, A.; Barron, D.; Etiévant, P.; Schreier, P.,
Studies on the enzymatic hydrolysis of bound aroma constituents from raspberry fruit pulp,
J. Agric. Food Chem., 1991, 39, 1, 173-175, https://doi.org/10.1021/jf00001a034
. [all data]
Chen, Kuo, et al., 1986
Chen, C.-C.; Kuo, M.-C.; Liu, S.-E.; Wu, C.-M.,
Volatile components of salted and pickled prunes (Prunus mume Sieb. et Zucc.),
J. Agric. Food Chem., 1986, 34, 1, 140-144, https://doi.org/10.1021/jf00067a038
. [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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