4-Pentenal, 2-methyl-

Formula: C₆H₁₀O
Molecular weight: 98.1430
IUPAC Standard InChI: InChI=1S/C6H10O/c1-3-4-6(2)5-7/h3,5-6H,1,4H2,2H3
IUPAC Standard InChIKey: RCQKLWAPRHHRNN-UHFFFAOYSA-N
CAS Registry Number: 5187-71-3
Chemical structure:
This structure is also available as a 2d Mol file
Other names: 2-Methyl-4-pentenal
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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

Column type	Active phase	I	Reference	Comment
Capillary	BP-1	798.	Bartley, 1988	He, 2. K/min; Column length: 50. m; T_start: -100. C; T_end: 200. C

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1141.	Tatsuka, Suekane, et al., 1990	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; T_end: 200. C

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	776.3	Helmig, Klinger, et al., 1999	60. m/0.32 mm/1. μm, -50. C @ 2. min, 6. K/min; T_end: 175. C

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1141.	Iwaoka, Hagi, et al., 1994	He, 40. C @ 5. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_end: 200. C

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1141.	Sampaio, Garruti, et al., 2011	30. m/0.25 mm/0.25 μm, Hydrogen; Program: 35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min)

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Bartley, 1988
Bartley, J.P., Volatile flavours of Australian tropical fruits, Biomed. Environ. Mass Spectrom., 1988, 16, 1-12, 201-205, https://doi.org/10.1002/bms.1200160136 . [all data]

Tatsuka, Suekane, et al., 1990
Tatsuka, K.; Suekane, S.; Sakai, Y.; Sumitani, H., Volatile constituents of kiwi fruit flowers: simultaneous distillation and extraction versus headspace sampling, J. Agric. Food Chem., 1990, 38, 12, 2176-2180, https://doi.org/10.1021/jf00102a015 . [all data]

Helmig, Klinger, et al., 1999
Helmig, D.; Klinger, L.F.; Guenther, A.; Vierling, L.; Geron, C.; Zimmerman, P., Biogenic volatile organic compound emissions (BVOCs). I. Identifications from three continental sites in the U.S., Chemosphere, 1999, 38, 9, 2163-2187, https://doi.org/10.1016/S0045-6535(98)00425-1 . [all data]

Iwaoka, Hagi, et al., 1994
Iwaoka, W.; Hagi, Y.; Umano, K.; Shibamoto, T., Volatile chemicals identified in fresh and cooked breadfruit, J. Agric. Food Chem., 1994, 42, 4, 975-976, https://doi.org/10.1021/jf00040a026 . [all data]

Sampaio, Garruti, et al., 2011
Sampaio, K.S.; Garruti, D.S.; Franco, M.R.B.; Janzantti, N.S.; Da Silva, M.A.AP., Aroma volatiles recovered in the water phase of cashew apple (Anacardium occidentale L.) juice during concentration, J. Sci. Food Agric., 2011, 91, 10, 1801-1809, https://doi.org/10.1002/jsfa.4385 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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