trans-Isoeugenol
- Formula: C10H12O2
- Molecular weight: 164.2011
- IUPAC Standard InChI: InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
- IUPAC Standard InChIKey: BJIOGJUNALELMI-ONEGZZNKSA-N
- CAS Registry Number: 5932-68-3
- 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: Phenol, 2-methoxy-4-(1-propenyl)-, (E)-; Phenol, 2-methoxy-4-propenyl-, (E)-; (E)-Isoeugenol; trans-p-Propenylquaiacol; trans-2-Methoxy-4-propenylphenol; iso-Eugenol 2; Isoeugenol E; 4-(1-Propenyl)-2-methoxyphenol; E-4-Propenyl-2-methoxyphenol; trans-2-Methoxy-4-(1-propenyl)phenol; (E)-2-Methoxy-4-(prop-1-enyl)phenol; NSC 209522; 4-(1-Propenyl)-2-methoxyphenol (trans-isoeugenol)
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- Other data available:
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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 | VF-5 | VF-5 | ZB-5 | RTX-5 | HP-5 MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| 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 | |
| Program | 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min) | not specified | 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) | 60 0C (5 min) 5 0C/min -> 110 0C 3 0C/min -> 220 0C (5 min) | 40 0C (10 min) 3 oC/min -> 200 0C 2 0C/min -> 220 0C |
| I | 1455. | 1459. | 1451. | 1457. | 1451. |
| Reference | Shivashankar, Roy, et al., 2012 | Shivashankar, Roy, et al., 2012 | de Simon, Estruelas, et al., 2009 | Zachariah, Leela, et al., 2008 | Setzer, Stokes, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-1 | Polydimethyl siloxane with 5 % Ph groups | SE-30 | SE-54 |
| Column length (m) | 30. | |||
| Carrier gas | Helium | |||
| Substrate | ||||
| Column diameter (mm) | 0.25 | |||
| Phase thickness (μm) | ||||
| Program | 120 0C (2 min( 5 0C/min -> 200 0C 10 0C/min -> 290 0C (5 min) | not specified | not specified | not specified |
| I | 1420. | 1447. | 1409. | 1430. |
| Reference | Sung, Stone, et al., 2007 | Pino, Marbot, et al., 2005 | Vinogradov, 2004 | Kilic, 2002 |
| 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.
Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R.,
Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss,
Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [all data]
de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M.,
Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage,
J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h
. [all data]
Zachariah, Leela, et al., 2008
Zachariah, T.J.; Leela, N.K.; Maya, K.M.; Rema, J.; Mathew, P.A.; Vipin, T.M.; Krishnamoorthy, B.,
Chemical composition of leaf oils of Myristica beddomeii (King), Myristica fragrans (Houtt.) and Myristica malabarica (Lamk.),
J. Spices Arom. Crops, 2008, 17, 1, 10-15. [all data]
Setzer, Stokes, et al., 2007
Setzer, W.N.; Stokes, S.L.; Penton, A.F.; Takaku, S.; Haber, W.A.; Hansell, E.; Caffrey, C.R.; McKerrow, J.H.,
Cruzain inhibitory activity of leaf essential oils of neotropical Lauraceae and essential oil components,
Natural Product Communications, 2007, 2, 12, 1203-1210. [all data]
Sung, Stone, et al., 2007
Sung, W.-C.; Stone, M.; Sun, F.-M.,
Analysis of volatile constituents of different temperature rice hulls liquid smoke,
Chi-Nan Annual Bull., 2007, 33, 1-12. [all data]
Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
Flavour Fragr. J., 2005, 20, 98-100. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Kilic, 2002
Kilic, A.,
Volatile compounds of buds, flowers and fruits of bay (Laurus nobilis L.) and their odour contribution,
Proc. ICNP-2002 - Trabzon/Turkiye, 2002, 338-341. [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
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