Isophytol
- Formula: C20H40O
- Molecular weight: 296.5310
- IUPAC Standard InChI: InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3
- IUPAC Standard InChIKey: KEVYVLWNCKMXJX-UHFFFAOYSA-N
- CAS Registry Number: 505-32-8
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl-; Hexadec-1-en-3-ol, 3,7,11,15-tetramethyl-; 1-Hexadecene-3-ol, 3,7,11,15-tetramethyl; NSC 93744; 3,7,11,15-Tetramethylhexadec-1-en-3-ol; 2,6,10,14-Tetramethylhexadec-15-en-14-ol; 3,7,11,15-Tetramethyl-1-hexadecen-3-ol
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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 | VF-5MS | DB-5 | DB-5 | HP-5MS | DB-5 |
| Column length (m) | 30. | 25. | 50. | 30. | 30. |
| Carrier gas | He | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 80. | 40. |
| Tend (C) | 270. | 200. | 220. | 300. | 260. |
| Heat rate (K/min) | 2. | 5. | 4. | 2. | |
| Initial hold (min) | 3. | 5. | |||
| Final hold (min) | 60. | 5. | 20. | ||
| I | 1947. | 1949. | 1949. | 1948.6 | 1939. |
| Reference | Todua, 2011 | Rout, Rao, et al., 2007 | Masoudi, Esmaeili, et al., 2006 | Zhao C.X., Li, et al., 2006 | Senatore, Napolitano, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | HP-5 | HP-5 | HP-5 | HP-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | 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 | 0.33 | |
| Tstart (C) | 60. | 60. | 60. | 60. | 40. |
| Tend (C) | 280. | 260. | 280. | 280. | 260. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 2. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 20. | ||||
| I | 1939. | 1949. | 1949. | 1949. | 1938. |
| Reference | Chorianopoulos, Kalpoutzakis, et al., 2004 | Javidnia, Miri, et al., 2004 | Bougatsos, Meyer, et al., 2003 | Fokialakis, Melliou, et al., 2003 | Senatore, Rigano, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | HP-5 | HP-5MS | HP-5 |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. |
| Tend (C) | 280. | 280. | 280. |
| Heat rate (K/min) | 3. | 4. | 4. |
| Initial hold (min) | 5. | 5. | 5. |
| Final hold (min) | |||
| I | 1943. | 1950. | 1949. |
| Reference | Fokialakis, Magiatis, et al., 2002 | Skaltsa, Mavrommati, et al., 2001 | Lazari, Skaltsa, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Todua, 2011
Todua, N.G.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]
Rout, Rao, et al., 2007
Rout, P.K.; Rao, Y.R.; Sree., A.; Naik, S.N.,
Composition of essential oil, concrete, absolute, wax and headspace volatiles of Murrarya paniculata (Linn.) Jack flowers,
Flavour Fragr. J., 2007, 22, 5, 352-357, https://doi.org/10.1002/ffj.1804
. [all data]
Masoudi, Esmaeili, et al., 2006
Masoudi, S.; Esmaeili, A.; Khalilzadeh, M.A.; Rustaiyan, A.; Moazami, N.; Akhgar, M.R.; Varavipoor, M.,
Volatile constituents of Dorema aucheri Boiss., Seseli libanotis (L.) W. D. Koch var. armeniacum bordz. and Conium maculatum L. three Umbelliferae herbs growing wild in Iran,
Flavour Fragr. J., 2006, 21, 5, 801-804, https://doi.org/10.1002/ffj.1722
. [all data]
Zhao C.X., Li, et al., 2006
Zhao C.X.; Li, X.N.; Liang Y.Z.; Fang H.Z.; Huang L.F.; Guo F.Q.,
Comparative analysis of chemical components of essential oils from different samples of Rhododendron with the help of chemometrics methods,
Chemom. Intell. Lab. Syst., 2006, 82, 1-2, 218-228, https://doi.org/10.1016/j.chemolab.2005.08.008
. [all data]
Senatore, Napolitano, et al., 2005
Senatore, F.; Napolitano, F.; Arnold, N.A.; Bruno, M.; Herz, W.,
Composition and antimicrobial activity of the essential oil of Achillea falcata L. (Asteraceae),
Flavour Fragr. J., 2005, 20, 3, 291-294, https://doi.org/10.1002/ffj.1411
. [all data]
Chorianopoulos, Kalpoutzakis, et al., 2004
Chorianopoulos, N.; Kalpoutzakis, E.; Aligiannis, N.; Mitaku, S.; Nychas, G.-J.; Haroutounian, S.A.,
Essential oils of Satureja, Origanum, and Thymus species: chemical composition and antibacterial activities against foodborne pathogens,
J. Agric. Food Chem., 2004, 52, 26, 8261-8267, https://doi.org/10.1021/jf049113i
. [all data]
Javidnia, Miri, et al., 2004
Javidnia, K.; Miri, R.; Kamalinejad, M.; Sarkarzadeh, H.; Jamalian, A.,
Chemical composition of the essential oils of Anthemis altissima L. grown in Iran,
Flavour Fragr. J., 2004, 19, 3, 213-216, https://doi.org/10.1002/ffj.1277
. [all data]
Bougatsos, Meyer, et al., 2003
Bougatsos, C.; Meyer, J.J.M.; Magiatis, P.; Vagias, C.; Chinou, I.B.,
Composition and antimicrobial activity of the essential oils of Helichrysum kraussii Sch. Bip. and H. rugulosum Less. from south Africa,
Flavour Fragr. J., 2003, 18, 1, 48-51, https://doi.org/10.1002/ffj.1152
. [all data]
Fokialakis, Melliou, et al., 2003
Fokialakis, N.; Melliou, E.; Magiatis, P.; Harvala, C.; Mitaku, S.,
Composition of the steam volatiles of six Euphorbia spp. from Greece,
Flavour Fragr. J., 2003, 18, 1, 39-42, https://doi.org/10.1002/ffj.1148
. [all data]
Senatore, Rigano, et al., 2003
Senatore, F.; Rigano, D.; de Fusco, R.; Bruno, M.,
Volatile components of Centaurea cineraria L. subsp. umbrosa (lacaita) Pign. and Centaurea napifolia L. (Asteraceae), two species growing wild in Sicily,
Flavour Fragr. J., 2003, 18, 3, 248-251, https://doi.org/10.1002/ffj.1179
. [all data]
Fokialakis, Magiatis, et al., 2002
Fokialakis, N.; Magiatis, P.; Mitaku, S.,
Essential oil constituents of Valeriana italica and Valeriana tuberosa. Stereochemical and conformational study of 15-acetoxyvaleranone,
Z. Naturforsch., 2002, 57c, 791-796. [all data]
Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T.,
A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae),
Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6
. [all data]
Lazari, Skaltsa, et al., 2000
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T.,
Volatile constituents of Cerastium candidissimum, a Greek endemic species,
Flavour Fragr. J., 2000, 15, 3, 174-176, https://doi.org/10.1002/1099-1026(200005/06)15:3<174::AID-FFJ886>3.0.CO;2-Y
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.