Phenol, 2-methoxy-4-(2-propenyl)-, acetate
- Formula: C12H14O3
- Molecular weight: 206.2378
- IUPAC Standard InChI: InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3
- IUPAC Standard InChIKey: SCCDQYPEOIRVGX-UHFFFAOYSA-N
- CAS Registry Number: 93-28-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Phenol, 4-allyl-2-methoxy-, acetate; Aceteugenol; Acetyleugenol; Eugenol acetate; Eugenyl acetate; 1,3,4-Eugenol acetate; Aceto eugenol; 1-Acetoxy-2-methoxy-4-allylbenzene; 4-Allyl-2-methoxyphenol acetate; 4-Allyl-2-methoxyphenyl acetate; NSC 1242; Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-acetate
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Phase change data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 554.2 | 1.00 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 63.1 | 389. | A | Stephenson and Malanowski, 1987 | Based on data from 374. to 555. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 374.8 to 555. | 5.36989 | 2782.976 | -36.986 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas Chromatography, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW-2687 |
| NIST MS number | 227549 |
Gas Chromatography
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1485. | Raina, Srivastava, et al., 2001 | 25. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
| Capillary | DB-5 | 1525. | Tellez, Estell, et al., 1997 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1482. | Raina, Kumar, et al., 2004 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C |
| Capillary | HP-5MS | 1524. | Demetzos, Angelopoulou, et al., 2002 | 30. m/0.25 mm/0.25 μm, 50. C @ 5. min, 3. K/min; Tend: 280. C |
| Capillary | HP-5 | 1522. | Lazari, Skaltsa, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | OV-1 | 1482. | 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 | OV-1 | 1482. | De Pooter, Omar, et al., 1985 | 30. m/0.5 mm/0.8 μm, He, 2. K/min; Tstart: 40. C; Tend: 220. C |
| Capillary | OV-1 | 1483. | De Pooter, Omar, et al., 1985 | 30. m/0.5 mm/0.8 μm, He, 2. K/min; Tstart: 40. C; Tend: 220. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1486. | Cavalli, Ranarivelo, et al., 2001 | 50. m/0.22 mm/0.25 μm; Program: not specified |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 2263. | Cavalli, Ranarivelo, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Sil 5 CB | 1523. | Ameen, Usman, et al., 2011 | 25. m/0.25 mm/0.15 μm, Helium; Tstart: 50. C; Tend: 220. C |
| Capillary | SE-54 | 1526. | Alma, Ertas, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 5. min, 2. K/min, 260. C @ 20. min |
| Capillary | ZB-5 | 1531. | Mohottalage, Tabacchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 4. K/min, 220. C @ 20. min |
| Capillary | FSOT-RSL-200 | 1522. | Schmidt, Jirovetz, et al., 2006 | 30. m/0.32 mm/0.25 μm, Hydrogen, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | BP-1 | 1485. | Srivastava, Srivastava, et al., 2005 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
| Capillary | HP-5 | 1524. | 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 | 1474. | 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 | CBP-1 | 1484. | Ly, Yamauchi, et al., 2001 | 25. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 2. min, 3. K/min; Tend: 210. C |
| Capillary | DB-1 | 1485. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 1520. | Arenas, Acevedo, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (5 min) 4 0C/min -> 150 0C (2 min) 5 0C/min -> 250 0C (5 min) 10 0C/min -> 275 0C (5 min) |
| Capillary | HP-5 MS | 1525. | Payo, Colo, et al., 2011 | Program: not specified |
| Capillary | HP-5 MS | 1526. | Payo, Colo, et al., 2011 | Program: not specified |
| Capillary | DB-5 | 1524. | Yusuf and Bewaji, 2011 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
| Capillary | DB-5MS | 1514. | Polzin, Stanfill, et al., 2007 | Column length: 30. m; Program: not specified |
| Capillary | SE-52 | 1523. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | SE-30 | 1541. | Vinogradov, 2004 | Program: not specified |
| Capillary | CBP-1 | 1483. | Ly, Yamauchi, et al., 2001 | 25. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified |
| Capillary | DB-1 | 1493. | Dorman, Figueiredo, et al., 2000 | 30. m/0.25 mm/0.25 μm, H2; Program: 40 0C 3 K/min -> 175 0C 15 K/min -> 240 0C (10 min) |
| Capillary | DB-1 | 1493. | Baratta, Dorman, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 240C (10min) |
| Capillary | DB-5 | 1526. | Anitescu, Doneanu, et al., 1997 | 15. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 5C/min => 120C(10min) => 4C/min => 250C(4min) => 5C/min => 280C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Stabilwax | 2273. | Jirovetz, Buchbauer, et al., 2005 | 30. m/0.32 mm/0.5 μm, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | Supelcowax-10 | 2252. | Wong, Lee, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min |
| Capillary | DB-Wax | 2277. | Lee and Shibamoto, 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-20M | 2263. | Chaieb, Hajlaoui, et al., 2007 | Program: not specified |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Stephenson and Malanowski, 1987
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Essential oil composition of Cinnamomum zeylanicum Blume leaves from Little Andaman, India,
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Tellez, Estell, et al., 1997
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Essential oil of Dyssodia acerosa DC.,
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Demetzos, Angelopoulou, et al., 2002
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A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece),
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Lazari, Skaltsa, et al., 2000
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Volatile constituents of Cerastium candidissimum, a Greek endemic species,
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Constituents of Artemisia roxburghiana Besser essential oil,
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The Essential Oil of Greater Galanga (Alpinia Galanga) from Malaysia,
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Constituents of the essential oil of six Helichrysum species from Madagascar,
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Ameen, Usman, et al., 2011
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Chemical composition of leaf essential oil of Annona senegalensis Pers. (Annonaceae) growing in North Central Nigeria,
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Components from Sri Lankan Piper betle L. leaf oil and their analogues showing toxicity against the housefly, Musca domestica,
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Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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