3-Decanol
- Formula: C10H22O
- Molecular weight: 158.2811
- IUPAC Standard InChIKey: ICEQLCZWZXUUIJ-UHFFFAOYSA-N
- CAS Registry Number: 1565-81-7
- 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:
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IR Spectrum
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
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Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
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Origin | Japan AIST/NIMC Database- Spectrum MS-NW-5194 |
NIST MS number | 232404 |
Gas Chromatography
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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 |
---|---|---|---|---|---|
Packed | SE-30 | 150. | 1189. | Bierl, Beroza, et al., 1972 | Column length: 3.0 m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 130. | 1563. | Singliar, 1972 | Column length: 2.55 m |
Packed | Carbowax 20M | 165. | 1570. | Singliar, 1972 | Column length: 2.55 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1184. | Fraternale, Ricci, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 | 1197. | Scrivanti, Anton, et al., 2009 | 30. m/0.25 mm/0.25 μm, Nitrogen, 2. K/min; Tstart: 40. C; Tend: 230. C |
Capillary | HP-5 | 1188. | Velickovic, Randjelovic, et al., 2002 | 30. m/0.25 mm/0.25 μm, H2, 4. K/min; Tstart: 40. C; Tend: 280. C |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TC-Wax | 1632. | Miyazawa, Kurose, et al., 2001 | He, 4. K/min, 250. C @ 47. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | PEG-20M | 1602. | Qin, 2009 | Program: not specified |
References
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bierl, Beroza, et al., 1972
Bierl, B.A.; Beroza, M.; Aldridge, M.H.,
Effect of functional-group position on retention indices of six classes of compounds on four stationary phases,
J. Chromatogr. Sci., 1972, 10, 12, 712-715, https://doi.org/10.1093/chromsci/10.12.712
. [all data]
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]
Fraternale, Ricci, et al., 2011
Fraternale, D.; Ricci, D.; Flamini, G.; Giomaro, G.,
Volatile profile of red apple from Marche region (Italy),
Rec. Nat. Prod., 2011, 5, 3, 202-207. [all data]
Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A.,
Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy,
Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009
. [all data]
Velickovic, Randjelovic, et al., 2002
Velickovic, D.T.; Randjelovic, N.V.; Ristic, M.S.; Smelcerovic, A.A.; Velickovic, A.S.,
Chemical composition and antimicrobial action of the ethanol extracts of Salvia pratensis L., Salvia glutinosa L. and Salvia aethiopis L.,
J. Serb. Chem. Soc., 2002, 67, 10, 639-646, https://doi.org/10.2298/JSC0210639V
. [all data]
Miyazawa, Kurose, et al., 2001
Miyazawa, M.; Kurose, K.; Itoh, A.; Hiraoka, N.,
Comparison of the essential oils of Glehnia littoralis from Northern and Southern Japan,
J. Agric. Food Chem., 2001, 49, 11, 5433-5436, https://doi.org/10.1021/jf010219c
. [all data]
Qin, 2009
Qin, Z.,
Relationship between the molecular structure and gas chromatographic retention index of alcohol isomer,
J. Xuzhou Norm. Univ. (Nat. Sci. Edn.), 2009, 27, 2, 88-90. [all data]
Notes
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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