2-Pentadecanol

Formula: C₁₅H₃₂O
Molecular weight: 228.4140
IUPAC Standard InChI: InChI=1S/C15H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h15-16H,3-14H2,1-2H3
IUPAC Standard InChIKey: ALVGHPMGQNBJRC-UHFFFAOYSA-N
CAS Registry Number: 1653-34-5
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.
Other names: sec-Pentadecyl alcohol; Pentadecan-2-ol
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Other data available:
- Mass spectrum (electron ionization)
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IR Spectrum

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Data compiled by: Coblentz Society, Inc.

SOLID (SPLIT MULL), FLUOROLUBE FOR 3800-1335 CM^-1, NUJOL FOR 1335-450 CM^-1 $$ SPECTRAL FEATURE AT 1315 CM^-1 IS AFFECTED BY SOLVENT CHANGE AT 1335 CM^-1; DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution

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

Gas Chromatography

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

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Carbowax 20M	165.	2118.	Singliar, 1972	Column length: 2.55 m

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

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Column type	Active phase	I	Reference	Comment
Capillary	SPB-5	1710.	Rodríguez-Burruezo, Kollmannsberger, et al., 2004	30. m/0.53 mm/1.5 μm, He, 5. K/min; T_start: 100. C; T_end: 250. C
Capillary	CP Sil 5 CB	1690.	Pino, Marbot, et al., 2001	50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min

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

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Column type	Active phase	I	Reference	Comment
Capillary	LM-120	2092.	Pinto, Guedes, et al., 2006	50. m/0.25 mm/0.5 μm, 3. K/min, 240. C @ 30. min; T_start: 50. C
Capillary	AT-Wax	2097.	Pino, Marbot, et al., 2001	60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min

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

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Column type	Active phase	I	Reference	Comment
Capillary	BPX-5	1714.	se Souza, Cardeal, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min)
Capillary	BPX-5	1690.	se Souza, Cardeal, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	2128.	Choi, 2004	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min

References

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Singliar, 1972
Singliar, M., Chromatographic Behaviour and the Structure of Secondary Aliphatic Alcohols, J. Chromatogr., 1972, 65, 1, 311-321, https://doi.org/10.1016/S0021-9673(00)86946-0 . [all data]

Rodríguez-Burruezo, Kollmannsberger, et al., 2004
Rodríguez-Burruezo, A.; Kollmannsberger, H.; Prohens, J.; Nitz, S.; Nuez, F., Analysis of the volatile aroma constituents of parental and hybrid clones of pepino (Solanum muricatum), J. Agric. Food Chem., 2004, 52, 18, 5663-5669, https://doi.org/10.1021/jf040107w . [all data]

Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit, J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r . [all data]

Pinto, Guedes, et al., 2006
Pinto, A.B.; Guedes, C.M.; Moreira, R.F.A.; de Maria, C.A.B., Volatile constituents from headspace and aqueous solution of genipap (Genipa americana) fruit isolated by the solid-phase extraction method, Flavour Fragr. J., 2006, 21, 3, 488-491, https://doi.org/10.1002/ffj.1623 . [all data]

se Souza, Cardeal, et al., 2009
se Souza, P.P.; Cardeal, Z.DeL.; Augusti, R.; Morrison, P.; Marriott, P.J., Determination of volatile compounds in Brazilian distilled cachaca by using comprehensive two-dimensional gas chromatography and effects of production pathways, J. Chromatogr. A., 2009, 1216, 14, 2881-2890, https://doi.org/10.1016/j.chroma.2008.10.061 . [all data]

Choi, 2004
Choi, H.-S., Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME, J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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