2-Propenoic acid, 3-phenyl-, methyl ester
- Formula: C10H10O2
- Molecular weight: 162.1852
- IUPAC Standard InChIKey: CCRCUPLGCSFEDV-UHFFFAOYSA-N
- CAS Registry Number: 103-26-4
- 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: Cinnamic acid, methyl ester; Methyl cinnamate; Methyl cinnamylate; Methyl 3-phenylpropenoate; Methyl 3-phenyl-2-propenoate; Methyl 3-phenylacrylate; Methyl ester of cinnamic acid; 3-Phenyl-2-propenoic acid methyl ester; Methyl 3-phenylprop-2-enoate; NSC 9411; SemaSORB 9815; 3-Phenyl-2-propenoic acid methyl ester (methyl cinnamate); methyl cinnamate (isomer)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- 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, 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 | HP-5 | DBP-5 | DBP-5 | HP-5 | DB-5 |
Column length (m) | 30. | 25. | 25. | 60. | 60. |
Carrier gas | Nitrogen | Helium | Helium | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.22 | 0.22 | 0.25 | |
Tstart (C) | 50. | 40. | 40. | 60. | 50. |
Tend (C) | 280. | 250. | 250. | 250. | 250. |
Heat rate (K/min) | 5. | 3. | 3. | 3. | 4. |
Initial hold (min) | 1. | 1. | 1. | 5. | |
Final hold (min) | 1. | 10. | 10. | ||
I | 1402. | 1344. | 1344. | 1386. | 1379. |
Reference | Bousaada, Ammar, et al., 2008 | Heravi and Sereshti, 2007 | Sereshti and Samadi, 2007 | Bertrand, Comte, et al., 2006 | Fadel, Mageed, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | HP-5MS | DB-1 | ZB-5 | DB-1 |
Column length (m) | 30. | 30. | 60. | 60. | |
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 50. | 60. | 40. | 35. |
Tend (C) | 220. | 250. | 230. | 260. | 230. |
Heat rate (K/min) | 5. | 10. | 3. | 6. | 2. |
Initial hold (min) | 5. | 3. | 4.6 | 4. | |
Final hold (min) | 6. | 10. | 1. | 25. | |
I | 1342. | 1388. | 1365. | 1399. | 1342. |
Reference | Kiran, Bhavani, et al., 2006 | Robinson, 2006 | Tohar, Mohd, et al., 2006 | Jürgens and Dötterl, 2004 | Park, Lee, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | DB-1 | DB-1 | Ultra-1 |
Column length (m) | 60. | 60. | 60. | 60. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.31 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.17 |
Tstart (C) | 35. | 35. | 35. | 40. | 30. |
Tend (C) | 230. | 230. | 230. | 280. | 210. |
Heat rate (K/min) | 2. | 2. | 2. | 4. | 2. |
Initial hold (min) | 4. | 4. | 4. | 5. | 4. |
Final hold (min) | 25. | 25. | 25. | ||
I | 1343. | 1344. | 1348. | 1346. | 1343. |
Reference | Park, Lee, et al., 2004 | Park, Lee, et al., 2004 | Park, Lee, et al., 2004 | Sefidkon, Jalili, et al., 2002 | Iwaoka, Zhang, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | OV-101 | DB-1 |
Column length (m) | 54. | 60. |
Carrier gas | He | |
Substrate | ||
Column diameter (mm) | 0.26 | 0.32 |
Phase thickness (μm) | ||
Tstart (C) | 50. | 50. |
Tend (C) | 230. | 230. |
Heat rate (K/min) | 3. | 4. |
Initial hold (min) | ||
Final hold (min) | 10. | |
I | 1339. | 1348. |
Reference | Zenkevich and Kulikova, 1993 | Binder, Benson, et al., 1990 |
Comment | MSDC-RI | 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.
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]
Heravi and Sereshti, 2007
Heravi, M.J.; Sereshti, H.,
Determination of Essential Oil Components of Artemisia haussknechtii Boiss. using Simultaneous Hydrodistillation-Static Headspace Liquid Phase Microextraction - Gas Chromatography Mass Spectrometry,
J. Chromatogr. A, 2007, 1160, 1-2, 81-89, https://doi.org/10.1016/j.chroma.2007.05.096
. [all data]
Sereshti and Samadi, 2007
Sereshti, H.; Samadi, S.,
Comparison of hydrodistillation-headspace liquid phase microextraction techniques with hydrodistillation in determination of essential oils in Artemisia Haussknechtii Boiss,
JSUT, 2007, 33, 2, 7-17. [all data]
Bertrand, Comte, et al., 2006
Bertrand, C.; Comte, G.; Piola, F.,
Solid-phase microextraction of volatile compounds from flowers of two Brunfelsia species,
Biochem. Syst. Ecol., 2006, 34, 5, 371-375, https://doi.org/10.1016/j.bse.2005.12.005
. [all data]
Fadel, Mageed, et al., 2006
Fadel, H.H.M.; Mageed, M.A.A.; Samad, A.K.M.E.A.; Lotfy, S.N.,
Cocoa substitute: Evaluation of sensory qualities and flavour stability,
Eur. Food Res. Technol., 2006, 223, 1, 125-131, https://doi.org/10.1007/s00217-005-0162-3
. [all data]
Kiran, Bhavani, et al., 2006
Kiran, S.R.; Bhavani, K.; Devi, P.S.; Rao, B.R.R.; Reddy, K.J.,
Composition and alrvicidal activity of leaves and stem essential oils of Chloroxylon swietenia DC against Aedes aegypti and Anopheles stephensi,
Biores. Technol., 2006, 97, 18, 2481-2484, https://doi.org/10.1016/j.biortech.2005.10.003
. [all data]
Robinson, 2006
Robinson, C.J.,
A new essential oil - Agonis fragrans, A report for the Rural Industries Research and Development Corporation, RIRDC Publication No. 06/090, Rural Industries Research and Development Corporation, Barton, ACT, 2006, 12. [all data]
Tohar, Mohd, et al., 2006
Tohar, N.; Mohd, M.A.; Jantan, I.; Awang, K.,
A comparative study of the essential oils of the genus Plumeria Linn. from Malaysia,
Flavour Fragr. J., 2006, 21, 6, 859-863, https://doi.org/10.1002/ffj.1617
. [all data]
Jürgens and Dötterl, 2004
Jürgens, A.; Dötterl, S.,
Chemical composition of anther volatiles in Ranunculaceae: genera-specific profiles in Aemone, Aquilegia, Caltha, Pulsatilla, Ranunculus, and Trollius species,
American Journal of Botany, 2004, 91, 12, 1969-1980, https://doi.org/10.3732/ajb.91.12.1969
. [all data]
Park, Lee, et al., 2004
Park, B.-S.; Lee, K.-G.; Takeoka, G.R.,
Comparison of three sample preparation methods on the recovery of volatiles from taheebo (Tabebuia impetiginosa Martius ex DC),
Flavour Fragr. J., 2004, 19, 4, 287-292, https://doi.org/10.1002/ffj.1345
. [all data]
Sefidkon, Jalili, et al., 2002
Sefidkon, F.; Jalili, A.; Mirhaji, T.,
Essential oil composition of three Artemisia spp. from Iran,
Flavour Fragr. J., 2002, 17, 2, 150-152, https://doi.org/10.1002/ffj.1063
. [all data]
Iwaoka, Zhang, et al., 1993
Iwaoka, W.T.; Zhang, X.; Hamilton, R.A.; Chia, C.L.; Tang, C.S.,
Identifying volatiles in soursop and comparing their changing profiles during ripening,
HortScience, 1993, 28, 8, 817-819. [all data]
Zenkevich and Kulikova, 1993
Zenkevich, I.G.; Kulikova, S.N.,
GC-MS Analysis of Products of Reactions of Unsaturated Compounds with Dimethyl Disulfide for Determination of Position of Double Bonds C=C,
Vestnik St. Petersburg University. Ser. phys-khim., 1993, 2, 59-69. [all data]
Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A.,
Volatile Components of Safflower,
J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020
. [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
- 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.