Cinnamaldehyde, α-pentyl-

Formula: C₁₄H₁₈O
Molecular weight: 202.2921
IUPAC Standard InChI: InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11-
IUPAC Standard InChIKey: HMKKIXGYKWDQSV-KAMYIIQDSA-N
CAS Registry Number: 122-40-7
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.
Stereoisomers:
- Amylcinnamaldehyde
Other names: Heptanal, 2-(phenylmethylene)-; α-Amyl-β-phenylacrolein; α-Amylcinnamaldehyde; α-Pentylcinnamaldehyde; Amylcinnamaldehyde; Flomine; Jasminal; Jasminaldehyde; α-Amylcinnamic aldehyde; α-n-Amylcinnamaldehyde; Amylcinnamic aldehyde; Heptanal, 2-benzylidene-; α-n-Amylcinnamic aldehyde; 2-(Phenylmethylene)heptanal; 2-Benzylideneheptanal; Amylcinnamic acid aldehyde; Cinnamaldehyde, α-amyl-; Jasmine aldehyde; NSC 6649; Pentylcinnamaldehyde; Amyl cinnamal; Jasmal; (Z)-jasminaldehyde; (Z)-2-Pentylcinnamaldehyde
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Information on this page:
Other data available:
- Phase change data
- Mass spectrum (electron ionization)
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Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	SE-30	100.	1615.1	Tudor, 1997	40. m/0.35 mm/0.35 μm

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1645.	Pino, Mesa, et al., 2005	30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	SPB-5	1672.	Vasta, Ratel, et al., 2007	60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
Capillary	DB-1	1631.	Tohar, Mohd, et al., 2006	30. m/0.32 mm/0.25 μm, 60. C @ 3. min, 3. K/min, 230. C @ 10. min

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	SPB-1	1598.	Bosch-Fuste, Riu-Aumatell, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min)

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Supelcowax-10	2247.	Bosch-Fuste, Riu-Aumatell, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min)

References

Go To: Top, Gas Chromatography, Notes

Tudor, 1997
Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6 . [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E., Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals, J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n . [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]

Bosch-Fuste, Riu-Aumatell, et al., 2007
Bosch-Fuste, J.; Riu-Aumatell, M.; Guadayol, J.M.; Caixach, J.; Lopez-Tamames, E.; Buxaderas, S., Volatile profiles of sparkling wines obtained by three extraction methods and gas chromatography-mass spectrometry (GC-MS) analysis, Food Chem., 2007, 105, 1, 428-435, https://doi.org/10.1016/j.foodchem.2006.12.053 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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