Phenol, 4-(2-propenyl)-, acetate
- Formula: C11H12O2
- Molecular weight: 176.2118
- IUPAC Standard InChI: InChI=1S/C11H12O2/c1-3-4-10-5-7-11(8-6-10)13-9(2)12/h3,5-8H,1,4H2,2H3
- IUPAC Standard InChIKey: AXHHVVBUOKYKJO-UHFFFAOYSA-N
- CAS Registry Number: 61499-22-7
- 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: 4-Allylphenyl acetate; Chavicol, acetate; 4-(2-Propenyl)phenyl acetate
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Mass spectrum (electron ionization)
Go To: Top, 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
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| 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 | P.A. Leclercq, Lab. Instrum. Anal., Tech. Univ. Eindhoven, Netherlands |
| NIST MS number | 221594 |
Gas Chromatography
Go To: Top, 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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 1309. | 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 | 1314. | 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 | HP-5MS | 1350.6 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 1322. | Wong, Lee, et al., 2005 | 50. m/0.2 mm/0.33 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min |
| Capillary | CBP-1 | 1315. | Ly, Yamauchi, et al., 2001 | 25. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 2. min, 3. K/min; Tend: 210. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CBP-1 | 1309. | Ly, Yamauchi, et al., 2001 | 25. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1949. | 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 |
References
Go To: Top, 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.
De Pooter, Omar, et al., 1985
De Pooter, H.L.; Omar, M.N.; Coolsaet, B.A.; Schamp, N.M.,
The Essential Oil of Greater Galanga (Alpinia Galanga) from Malaysia,
Phytochemistry, 1985, 24, 1, 93-96, https://doi.org/10.1016/S0031-9422(00)80814-6
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [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]
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, Mass spectrum (electron ionization), Gas Chromatography, References
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