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:
- Phenol, 2-methoxy-4-(1-propenyl)-, (Z)-
- Phenol, 2-methoxy-4-(1-propenyl)-
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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Van Den Dool and Kratz RI, non-polar column, custom temperature program

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5MS	DB-5MS	LM-5
Column length (m)	30.	30.	30.	30.
Carrier gas	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.25
Phase thickness (μm)	0.25	0.5	0.5	0.25
Program	40C(2min) => 4C/min => 220C => 20C/min => 280C	70C => 5C/min => 85C(1min) => 3C/min => 165C => 10C/min => 280C(3min)	70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min)	60C(2min) => 15C/min => 180C => 5C/min => 280C(5min)
I	1447.	1473.	1473.	1458.4
Reference	Andrade, Sampaio, et al., 2007	Varlet, Serot, et al., 2007	Varlet V., Knockaert C., et al., 2006	Ré-Poppi and Santiago-Silva, 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

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Andrade, Sampaio, et al., 2007
Andrade, M.S.; Sampaio, T.S.; Nogueira, P.C.L.; Ribeiro, A.S.; Bittrich, V.; Amaral, M.C.E., Volatile compounds of the leaves, flowers and fruits of Kielmeyera rugosa Choisy (Clusiaceae), Flavour Fragr. J., 2007, 22, 1, 49-52, https://doi.org/10.1002/ffj.1751 . [all data]

Varlet, Serot, et al., 2007
Varlet, V.; Serot, T.; Cardinal, M.; Knockaert, C.; Prost, C., Olfactometric Determination of the Most Potent Odor-Active Compounds in Salmon Muscle (Salmo salar) Smoked by Using Four Smoke Generation Techniques, J. Agric. Food Chem., 2007, 55, 11, 4518-4525, https://doi.org/10.1021/jf063468f . [all data]

Varlet V., Knockaert C., et al., 2006
Varlet V.; Knockaert C.; Prost C.; Serot T., Comparison of odor-active volatile compounds of fresh and smoked salmon, J. Agric. Food Chem., 2006, 54, 9, 3391-3401, https://doi.org/10.1021/jf053001p . [all data]

Ré-Poppi and Santiago-Silva, 2002
Ré-Poppi, N.; Santiago-Silva, M.R., Identification of polycyclic aromatic hydrocarbons and methoxylated phenols in wood smoke emitted during production of charcoal, Chromatographia, 2002, 55, 7/8, 475-481, https://doi.org/10.1007/BF02492280 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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