1-Octanol
- Formula: C8H18O
- Molecular weight: 130.2279
- IUPAC Standard InChIKey: KBPLFHHGFOOTCA-UHFFFAOYSA-N
- CAS Registry Number: 111-87-5
- 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: Octyl alcohol; n-Octan-1-ol; n-Octanol; n-Octyl alcohol; Alfol 8; Caprylic alcohol; Heptyl carbinol; Octanol; Octilin; Sipol L8; Alcohol C-8; n-Heptyl carbinol; Octan-1-ol; Prim-n-octyl alcohol; Octanol-(1); Dytol M-83; Lorol 20; Octyl alcohol, normal-primary; Primary octyl alcohol; Epal 8; 1-Hydroxyoctane; Emery 3322; Emery 3324; Lorol C 8-98; 1-Octyl alcohol; NSC 9823
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Van Den Dool and Kratz RI, polar column, custom temperature program
Go To: Top, 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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 | CP-Wax 52CB | DB-Wax |
Column length (m) | 30. | 30. | 30. | 60. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
Program | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min) | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 40C(1min) => 10C/min => 120C => 15C/min => 200C (1min) | 45C(5min) => 10C/min => 80C => 2C/min => 240C | 40C => 5C/min => 60C(30min) => 5C/min => 240C |
I | 1565. | 1561. | 1566. | 1552. | 1565. |
Reference | Bianchi, Cantoni, et al., 2007 | Bianchi, Careri, et al., 2007 | Bianchi, Careri, et al., 2007 | Romeo, Ziino, et al., 2007 | Mehinagic, Royer, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | CP-Wax 52CB | DB-Wax | Stabilwax |
Column length (m) | 30. | 30. | 50. | 60. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 0.5 | 0.2 | 0.25 | 1. |
Program | 40C => 5C/min => 60C(30min) => 5C/min => 240C | 40C(5min) => 10C/min => 160C => 15C/min => 230C | 33C(1.5min) => 1.5C/min => 60C(4min) => 2C/min => 100C => 8C/min => 220C(15min) | 35C(0.7min) => 20C/min => 70C => 4C/min => 240C | 40C (2min) => 5C/min => 100C => 4C/min => 230C (10min) |
I | 1566. | 1563. | 1540. | 1547. | 1576. |
Reference | Mehinagic, Royer, et al., 2006 | Hallier, Prost, et al., 2005 | Kaack, Christensen, et al., 2005 | Ferrari, Lablanquie, et al., 2004 | Klesk, Qian, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | Stabilwax | DB-Wax | DB-Wax | Supelcowax-10 |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 1. | 0.5 | 0.5 | 0.3 |
Program | 40C => 5C/min => 60C => 2.5C/min => 155C | 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) | 40C(2min) => 2C/min => 100C => 10C/min => 230C (5min) | 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C | 60C(8min) => 8C/min => 170C => 13C/min => 240C(20min) |
I | 1549. | 1574. | 1576. | 1553. | 1560. |
Reference | Alasalvar, Shahidi, et al., 2003 | Klesk and Qian, 2003 | Klesk and Qian, 2003, 2 | Pennarun, Prost, et al., 2003 | da Porto, Pizzale, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 60. | 30. |
Carrier gas | He | He | H2 | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.25 | |
Program | 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C | 50C => 5C/min => 180C => 10C/min => 250C | 60C (3min) => 2C/min => 220C => 5C/min => 250C (15min) | 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C (40min) | 60C(3min) => 2C/min => 220C => 5C/min => 250C (15min) |
I | 1553. | 1556. | 1563. | 1568. | 1540. |
Reference | Pennarun, Prost, et al., 2002 | Sérot, Regost, et al., 2002 | Boulanger and Crouzet, 2001 | Ziegleder, 2001 | Boulanger and Crouzet, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | BP-20 | DB-Wax | DB-Wax | Supelcowax-10 |
Column length (m) | 50. | 50. | 60. | |
Carrier gas | He | He | He | |
Substrate | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | |||
Program | not specified | 50C => 2.5C/min => 150C => 1.5C/min => 210C | 50C => 2.5C/min => 150C => 1.5C/min => 210C | 20C(0.5min) => 60C => 4C/min => 250C |
I | 1550. | 1584.4 | 1584.4 | 1552. |
Reference | Filippini, Tomi, et al., 2000 | Yang, Chyau, et al., 1998 | Yang, Chyau, et al., 1998 | Sing, Smadja, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bianchi, Cantoni, et al., 2007
Bianchi, F.; Cantoni, C.; Careri, M.; Chiesa, L.; Musci, M.; Pinna, A.,
Characterization of the aromatic profile for the authentication and differentiation of typical Italian dry-sausages,
Talanta, 2007, 72, 4, 1552-1563, https://doi.org/10.1016/j.talanta.2007.02.019
. [all data]
Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M.,
Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness,
J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393
. [all data]
Romeo, Ziino, et al., 2007
Romeo, V.; Ziino, M.; Giuffrrida, D.; Condurso, C.; Verzera, A.,
Flavour profile of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC?MS,
Food Chem., 2007, 101, 3, 1272-1278, https://doi.org/10.1016/j.foodchem.2005.12.029
. [all data]
Mehinagic, Royer, et al., 2006
Mehinagic, E.; Royer, G.; Symoneaux, R.; Jourjon, F.; Prost, C.,
Characterization of Odor-Active Volatiles in Apples: Influence of Cultivars and Maturity Stage,
J. Agric. Food Chem., 2006, 54, 7, 2678-2687, https://doi.org/10.1021/jf052288n
. [all data]
Hallier, Prost, et al., 2005
Hallier, A.; Prost, C.; Serot, T.,
Influence in rearing conditions on the volatile compounds of cooked fillets of Silurus glanis (European catfish),
J. Agric. Food Chem., 2005, 53, 18, 7204-7211, https://doi.org/10.1021/jf050559o
. [all data]
Kaack, Christensen, et al., 2005
Kaack, K.; Christensen, L.P.; Hughes, M.; Eder, R.,
The relationship between sensory quality and volatile compounds in raw juice processed from elderberries ( Sambucus nigra L.),
Eur. Food Res. Technol., 2005, 221, 3-4, 244-254, https://doi.org/10.1007/s00217-005-1141-4
. [all data]
Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E.,
Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation,
J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d
. [all data]
Klesk, Qian, et al., 2004
Klesk, K.; Qian, M.; Martin, R.R.,
Aroma extract dilution analysis of cv. meeker (Rubus idaeus L.) red raspberries from Oregon and Washington,
J. Agric. Food Chem., 2004, 52, 16, 5155-5161, https://doi.org/10.1021/jf0498721
. [all data]
Alasalvar, Shahidi, et al., 2003
Alasalvar, C.; Shahidi, F.; Cadwallader, K.R.,
Comparison of natural and roasted Turkish Tombul hazelnut (Corylus avellana L.) volatiles and flavor by DHA/GC/MS and descriptive sensory analysis,
J. Agric. Food Chem., 2003, 51, 17, 5067-5072, https://doi.org/10.1021/jf0300846
. [all data]
Klesk and Qian, 2003
Klesk, K.; Qian, M.,
Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. Iaciniatus L.) blackberries,
J. Agric. Food Chem., 2003, 51, 11, 3436-3441, https://doi.org/10.1021/jf0262209
. [all data]
Klesk and Qian, 2003, 2
Klesk, K.; Qian, M.,
Preliminary aroma comparison of Marion (Rubus spp. hyb) and Evergreen (R. laciniatus L.) blackberries by dynamic headspace/OSME technique,
J. Food Sci., 2003, 68, 2, 697-700, https://doi.org/10.1111/j.1365-2621.2003.tb05734.x
. [all data]
Pennarun, Prost, et al., 2003
Pennarun, A.-L.; Prost, C.; Haure, J.; Demaimay, M.,
Comparison of two microalgal diets. 2. Influence on odorant composition and organoleptic qualities of raw oysters (Crassostrea gigas),
J. Agric. Food Chem., 2003, 51, 7, 2011-2018, https://doi.org/10.1021/jf020549c
. [all data]
da Porto, Pizzale, et al., 2003
da Porto, C.; Pizzale, L.; Bravin, M.; Conte, L.S.,
Analyses of orange spirit flavour by direct-injection gas chromatography-mass spectrometry and headspace solid-phase microextraction/GC-MC,
Flavour Fragr. J., 2003, 18, 1, 66-72, https://doi.org/10.1002/ffj.1164
. [all data]
Pennarun, Prost, et al., 2002
Pennarun, A.L.; Prost, C.; Demaimay, M.,
Identification and origin of the character-impact compounds of raw oyster Crassostrea gigas,
J. Sci. Food Agric., 2002, 82, 14, 1652-1660, https://doi.org/10.1002/jsfa.1236
. [all data]
Sérot, Regost, et al., 2002
Sérot, T.; Regost, C.; Arzel, J.,
Identification of odour-active compounds in muscle of brown trout (Salmo trutta) as affected by dietary lipid sources,
J. Sci. Food Agric., 2002, 82, 6, 636-643, https://doi.org/10.1002/jsfa.1096
. [all data]
Boulanger and Crouzet, 2001
Boulanger, R.; Crouzet, J.,
Identification of the aroma components of acerola (Malphigia glabra L.): free and bound flavor compounds,
Food Chem., 2001, 74, 2, 209-216, https://doi.org/10.1016/S0308-8146(01)00128-5
. [all data]
Ziegleder, 2001
Ziegleder, G.,
Odorous compounds in paperboard as influenced by recycled material and storage,
Packag. Technol. Sci., 2001, 14, 4, 131-136, https://doi.org/10.1002/pts.541
. [all data]
Boulanger and Crouzet, 2000
Boulanger, R.; Crouzet, J.,
Free and bound flavour components of Amazonian fruits: 3-glycosidically bound components of cupuacu,
Food Chem., 2000, 70, 4, 463-470, https://doi.org/10.1016/S0308-8146(00)00112-6
. [all data]
Filippini, Tomi, et al., 2000
Filippini, M.-H.; Tomi, F.; Casanova, J.,
Composition of the leaf oil of Ferula arrigonii Bocchieri,
Flavour Fragr. J., 2000, 15, 3, 195-198, https://doi.org/10.1002/1099-1026(200005/06)15:3<195::AID-FFJ891>3.0.CO;2-6
. [all data]
Yang, Chyau, et al., 1998
Yang, M.-S.; Chyau, C.-C.; Horng, D.-T.; Yang, J.-S.,
Effects of Irradiation and Drying on Volatile Components of Fresh Shiitake edodes (Lentinus Sing),
J. Sci. Food Agric., 1998, 76, 1, 72-76, https://doi.org/10.1002/(SICI)1097-0010(199801)76:1<72::AID-JSFA921>3.0.CO;2-0
. [all data]
Sing, Smadja, et al., 1992
Sing, A.S.C.; Smadja, J.; Brevard, H.; Maignial, L.; Chaintreau, A.; Marion, J.-P.,
Volatile constituents of faham (Jumellea fragrans (Thou.) Schltr.),
J. Agric. Food Chem., 1992, 40, 4, 642-646, https://doi.org/10.1021/jf00016a024
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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