1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-

Formula: C₁₁H₁₂O₃
Molecular weight: 192.2112
IUPAC Standard InChI: InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
IUPAC Standard InChIKey: BNWJOHGLIBDBOB-UHFFFAOYSA-N
CAS Registry Number: 607-91-0
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-; Myristicin; 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene; 6-Allyl-4-methoxy-1,3-benzodioxole; Myristicine; 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-6-(1-propenyl)-
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Van Den Dool and Kratz RI, polar column, temperature ramp

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-FFAP	CP-Wax 52CB	CP-Wax 52CB	CP-Wax 52CB	CP-Wax 52CB
Column length (m)	30.	50.	50.	50.	50.
Carrier gas	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.32	0.32
Phase thickness (μm)	0.25	0.2	0.2
T_start (C)	40.	32.	32.	60.	60.
T_end (C)	230.	220.	220.	220.	220.
Heat rate (K/min)	6.	1.	1.	4.	4.
Initial hold (min)	1.	1.	1.	5.	5.
Final hold (min)				30.	30.
I	2272.	2225.	2225.	2247.	2262.
Reference	Zeller and Rychlik, 2006	Kjeldsen, Christensen, et al., 2003	Kjeldsen, Christensen, et al., 2001	Chevance and Farmer, 1999	Chevance and Farmer, 1999, 2
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	CP-Wax 52CB
Column length (m)	50.
Carrier gas
Substrate
Column diameter (mm)	0.32
Phase thickness (μm)
T_start (C)	40.
T_end (C)	220.
Heat rate (K/min)	4.
Initial hold (min)	5.
Final hold (min)	30.
I	2262.
Reference	Chevance and Farmer, 1999, 2
Comment	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes

Zeller and Rychlik, 2006
Zeller, A.; Rychlik, M., Character impact odorants of fennel fruits and fennel tea, J. Agric. Food Chem., 2006, 54, 10, 3686-3692, https://doi.org/10.1021/jf052944j . [all data]

Kjeldsen, Christensen, et al., 2003
Kjeldsen, F.; Christensen, L.P.; Edelenbos, M., Changes in volatile compounds of carrots (Daucus carota L.) during refrigerated and frozen storage, J. Agric. Food Chem., 2003, 51, 18, 5400-5407, https://doi.org/10.1021/jf030212q . [all data]

Kjeldsen, Christensen, et al., 2001
Kjeldsen, F.; Christensen, L.P.; Edelenbos, M., Quantitative analysis of aroma compounds in carrot (Daucus carota L.) cultivars by capillary gas chromatography using large-volume injection technique, J. Agric. Food Chem., 2001, 49, 9, 4342-4348, https://doi.org/10.1021/jf010213n . [all data]

Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J., Identification of major volatile odor compounds in frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d . [all data]

Chevance and Farmer, 1999, 2
Chevance, F.F.V.; Farmer, L.J., Release of volatile odor compounds from full-fat and reduced-fat frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5161-5168, https://doi.org/10.1021/jf9905166 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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