2-Tetradecanone

Formula: C₁₄H₂₈O
Molecular weight: 212.3715
IUPAC Standard InChI: InChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3-13H2,1-2H3
IUPAC Standard InChIKey: POQLVOYRGNFGRM-UHFFFAOYSA-N
CAS Registry Number: 2345-27-9
Chemical structure:
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Other names: tetradecan-2-one
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Normal alkane RI, non-polar column, custom temperature program

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	TR-5 MS	Polydimethyl siloxane with 5 % Ph groups	Polydimethyl siloxane with 5 % Ph groups	SE-30	Polydimethyl siloxane
Column length (m)	15.
Carrier gas	Helium
Substrate
Column diameter (mm)	0.25
Phase thickness (μm)	0.25
Program	35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min)	not specified	not specified	not specified	not specified
I	1595.	1597.	1600.	1580.	1570.
Reference	Kurashov, Mitrukova, et al., 2014	Robinson, Adams, et al., 2012	Robinson, Adams, et al., 2012	Vinogradov, 2004	Junkes, Castanho, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V., Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press), Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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