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:
Normal alkane 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 | HP-5 MS | RTX-1 | OV-1 | HP-5 | HP-5 MS |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 50. | 50. | 70. |
| Tend (C) | 260. | 230. | 250. | 240. | 290. |
| Heat rate (K/min) | 4. | 2. | 5. | 3. | 5. |
| Initial hold (min) | 3. | 5. | |||
| Final hold (min) | 5. | 30. | 2. | 10. | |
| I | 1949. | 1946. | 1940. | 1951. | 1950. |
| Reference | Miyazawa, Marumoto, et al., 2011 | Dib, Djabou, et al., 2010 | Hu, Liang, et al., 2010 | Monsef-Esfahani, Miri, et al., 2010 | Radulovic, Blagojevic, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-1 | HP-5 | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Hydrogen | Helium | Nitrogen | Nitrogen | 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 | 0.25 |
| Tstart (C) | 70. | 50. | 50. | 50. | 60. |
| Tend (C) | 290. | 220. | 280. | 280. | 240. |
| Heat rate (K/min) | 5. | 4. | 5. | 5. | 2. |
| Initial hold (min) | 2. | 1. | 1. | ||
| Final hold (min) | 2. | 1. | 1. | ||
| I | 1950. | 1938. | 1954. | 1945. | 1943. |
| Reference | Radulovic, Dordevic, et al., 2010 | Xu, Tang, et al., 2010 | Bousaada, Ammar, et al., 2008 | Saidana, Mahjoub, et al., 2008 | Miyazawa and Tamura, 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | Elite-5MS | HP-5 MS | HP-5 | DB-5 |
| Column length (m) | 50. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.32 | 0.25 |
| Tstart (C) | 95. | 40. | 60. | 60. | 60. |
| Tend (C) | 240. | 280. | 280. | 250. | 300. |
| Heat rate (K/min) | 4. | 4. | 3. | 5. | 3. |
| Initial hold (min) | 5. | 30. | |||
| Final hold (min) | 10. | ||||
| I | 1922. | 1947. | 1948. | 1950. | 1945. |
| Reference | Pala-Paul, Brophy, et al., 2007 | Tava, Pecetti, et al., 2007 | Vagionas, Graikou, et al., 2007 | Yassa and Akhani, 2007 | Apel, Sobral, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 5 CB | DB-5 | DB-5 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | He | He | Hydrogen | Hydrogen |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 60. | 70. | 70. |
| Tend (C) | 300. | 220. | 220. | 280. | 280. |
| Heat rate (K/min) | 4. | 4. | 4. | 4. | 4. |
| Initial hold (min) | 5. | 4. | 4. | ||
| Final hold (min) | |||||
| I | 1932. | 1945. | 1946. | 1944. | 1949. |
| Reference | Lis and Milczarek, 2006 | Morteza-Semnani, Akbarzadeh, et al., 2006 | Morteza-Semnani K., Akbarzadeh M., et al., 2006 | Pino, Marbot, et al., 2006 | Pino, Marbot, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | HP-5 | HP-5 | HP-5 |
| Column length (m) | 30. | 30. | 25. | 30. | 30. |
| Carrier gas | Hydrogen | He | H2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.52 | 0.25 | 0.25 |
| Tstart (C) | 70. | 40. | 50. | 60. | 60. |
| Tend (C) | 280. | 260. | 280. | 250. | 30. |
| Heat rate (K/min) | 4. | 2. | 2.5 | 10. | 4. |
| Initial hold (min) | 4. | 5. | 5. | 2. | 3. |
| Final hold (min) | 20. | 10. | 15. | ||
| I | 1950. | 1950. | 1945. | 1959. | 1944. |
| Reference | Pino, Marbot, et al., 2006 | Senatore, Landolfi, et al., 2006 | Wang, Kong, et al., 2006 | Wang, Yang, et al., 2006 | Ferretti, Maggi, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | HP-5 | DB-5 | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 30. | 30. | 25. |
| Carrier gas | He | He | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.39 |
| Tstart (C) | 60. | 40. | 40. | 60. | 60. |
| Tend (C) | 220. | 260. | 300. | 300. | 220. |
| Heat rate (K/min) | 4. | 2. | 4. | 3. | 5. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 20. | 5. | |||
| I | 1943. | 1950. | 1947. | 1943. | 1930. |
| Reference | Morteza-Semnani, Akbarzadeh, et al., 2005 | Senatore, Apostolides Arnold, et al., 2005 | Utsunomia, Kawata, et al., 2005 | Tirillini, Pellegrino, et al., 2004 | Mazloomifar, Saber-Tehrani, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 | BP-1 | DB-5 | Optima-1 |
| Column length (m) | 30. | 25. | 25. | 30. | 25. |
| Carrier gas | Helium | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.50 | 0.25 | 0.20 |
| Phase thickness (μm) | 0.25 | 0.53 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 60. | 60. | 50. |
| Tend (C) | 260. | 280. | 220. | 220. | 250. |
| Heat rate (K/min) | 2. | 4. | 5. | 4. | 3. |
| Initial hold (min) | 5. | 5. | 3. | ||
| Final hold (min) | 10. | ||||
| I | 1938. | 1948. | 1940. | 1948. | 1950. |
| Reference | Senatore and Bruno, 2003 | Velickovic, Ristic, et al., 2003 | Das, Ram, et al., 2002 | Morteza-Semnani, Saeedi, et al., 2002 | Brun, Bessière, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Optima-1 |
| Column length (m) | 25. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.20 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 50. |
| Tend (C) | 250. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | 3. |
| Final hold (min) | |
| I | 1950. |
| Reference | de Beck, Bessière, et al., 2000 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Miyazawa, Marumoto, et al., 2011
Miyazawa, M.; Marumoto, S.; Kobayashi, T.; Yoshida, S.; Utsumi, Y.,
Determination of characteristic components in essential oils from Wisteria braphybotrys using gas chromatography - olfactometry incremental dilution technique,
Rec. Nat. Prod., 2011, 5, 3, 221-227. [all data]
Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J.,
Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation,
Chem, Centr. J., 2010, 4, 16, 1-15. [all data]
Hu, Liang, et al., 2010
Hu, C.-D.; Liang, Y.-Z.; Guo, F.-Q.; Li, X.-R.; Wang, W.-P.,
Determination of essential oil composition from Osmanthus fragrans tea by GC-MS combined with a chemometric resolution method,
Molecules, 2010, 15, 5, 3683-3693, https://doi.org/10.3390/molecules15053683
. [all data]
Monsef-Esfahani, Miri, et al., 2010
Monsef-Esfahani, H.R.; Miri, A.; Amini, M.; Amanzadeh, Y.; Hadjiakhoondi, A.; Hajiaghaee, R.; Ajani, Y.,
Seasonal variations in the chemical composition, antioxidant activity and total phenolic content of Teucrium persicum Boiss. essential oils,
Res. J. Biol. Sci., 2010, 5, 7, 492-498, https://doi.org/10.3923/rjbsci.2010.492.498
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Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168
. [all data]
Radulovic, Dordevic, et al., 2010
Radulovic, N.S.; Dordevic, N.D.; Palic, R.M.,
Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae),
J. Serbian Chem. Soc., 2010, 75, 12, 1-11, https://doi.org/10.2298/JSC100323127R
. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [all data]
Bousaada, Ammar, et al., 2008
Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z.,
Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia,
Microbiol. Res., 2008, 163, 1, 87-95, https://doi.org/10.1016/j.micres.2007.02.010
. [all data]
Saidana, Mahjoub, et al., 2008
Saidana, D.; Mahjoub, M.A.; Boussaada, O.; Chriaa, J.; Cheraif, I.; Daami, M.; Mighri, Z.; Helal, A.N.,
Chemical composition and antimicrobial activity of volatile compounds of Tamarix boveana (Tamaricaceae),
Microbiol. Res., 2008, 163, 4, 445-455, https://doi.org/10.1016/j.micres.2006.07.009
. [all data]
Miyazawa and Tamura, 2007
Miyazawa, M.; Tamura, N.,
Components of the essential oil from sprouts of Polygonum hydropiper L. ('Benitade'),
Flavour Fragr. J., 2007, 22, 3, 188-190, https://doi.org/10.1002/ffj.1779
. [all data]
Pala-Paul, Brophy, et al., 2007
Pala-Paul, J.; Brophy, J.J.; Perez-Alonso, M.J.; Usano, J.; Soria, S.C.,
Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain,
J. Chromatogr. A, 2007, 1175, 2, 289-293, https://doi.org/10.1016/j.chroma.2007.10.061
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Tava, Pecetti, et al., 2007
Tava, A.; Pecetti, L.; Ricci, M.; Pagnotta, M.A.; Russi, L.,
Volatile compounds from leaves and flowers of Bituminaria bituminosa (L.) Stirt. (Fabaceae) from Italy,
Flavour Fragr. J., 2007, 22, 5, 363-370, https://doi.org/10.1002/ffj.1806
. [all data]
Vagionas, Graikou, et al., 2007
Vagionas, K.; Graikou, K.; Ngassapa, O.; Runyoro, D.; Chinou, I.,
Composition and antimicrobial activity of the essential oils of three Satureja species growing in Tansania,
Food Chem., 2007, 103, 2, 319-324, https://doi.org/10.1016/j.foodchem.2006.07.051
. [all data]
Yassa and Akhani, 2007
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2007, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Apel, Sobral, et al., 2006
Apel, M.A.; Sobral, M.; Zuanazzi, J.A.S.; Henriques, A.T.,
Essential oil composition of four Plinia species (Myrtaceae),
Flavour Fragr. J., 2006, 21, 3, 565-567, https://doi.org/10.1002/ffj.1638
. [all data]
Lis and Milczarek, 2006
Lis, A.; Milczarek, J.,
Chemical composition of the essential oils from fruits, leaves and flowers of Phellodendron sachalinense (Fr. Schmidt) Sarg.,
Flavour Fragr. J., 2006, 21, 4, 683-686, https://doi.org/10.1002/ffj.1662
. [all data]
Morteza-Semnani, Akbarzadeh, et al., 2006
Morteza-Semnani, K.; Akbarzadeh, M.; Changizi, S.,
Essential oils composition of Stachys byzantina, S. inflata, S. lavandulifolia and S. laxa from Iran,
Flavour Fragr. J., 2006, 21, 2, 300-303, https://doi.org/10.1002/ffj.1594
. [all data]
Morteza-Semnani K., Akbarzadeh M., et al., 2006
Morteza-Semnani K.; Akbarzadeh M.; Moshiri K.,
The essential oil composition of Eupatorium cannabinum L. from Iran,
Flavour Fragr. J., 2006, 21, 3, 521-523, https://doi.org/10.1002/ffj.1687
. [all data]
Pino, Marbot, et al., 2006
Pino, J.A.; Marbot, R.; Payo, A.; Chao, D.; Herrera, P.,
Aromatic Plants from Western Cuba VII. Composition of the Leaf Oil of Psidium wrightii KRug et Urb., Lantana involucrata L., Cinnamonum montanum (Sw.) Berchtold et J. Persl. and Caesalpinia violacea (Mill.) Standley,
J. Essent. Oil. Res., 2006, 18, 2, 170-174, https://doi.org/10.1080/10412905.2006.9699058
. [all data]
Senatore, Landolfi, et al., 2006
Senatore, F.; Landolfi, S.; Celik, S.; Bruno, M.,
Volatile components of Centaurea calcitrapa L. and Centaurea sphaerocephala L. ssp. sphaerocephala, two Asteraceae growing wild in Sicily,
Flavour Fragr. J., 2006, 21, 2, 282-285, https://doi.org/10.1002/ffj.1585
. [all data]
Wang, Kong, et al., 2006
Wang, P.; Kong, C.H.; Zhang, C.X.,
Chemical Composition and Antimicrobial Activity of the Essential Oil from Ambrosia trifida L.,
Molecules, 2006, 11, 7, 549-555, https://doi.org/10.3390/11070549
. [all data]
Wang, Yang, et al., 2006
Wang, Q.; Yang, Y.; Zhao, X.; Zhu, B.; Nan, P.; Zhao, J.; Wang, L.; Chen, F.; Liu, Z.; Zhong, Y.,
Chemical variation in the essential oil of Ephedra sinica from Northeastern China,
Food Chem., 2006, 98, 1, 52-58, https://doi.org/10.1016/j.foodchem.2005.04.033
. [all data]
Ferretti, Maggi, et al., 2005
Ferretti, G.; Maggi, F.; Tirillini, B.,
Essential oil composition of Hypericum richeri Vill. from Italy,
Flavour Fragr. J., 2005, 20, 3, 295-298, https://doi.org/10.1002/ffj.1412
. [all data]
Morteza-Semnani, Akbarzadeh, et al., 2005
Morteza-Semnani, K.; Akbarzadeh, M.; Rostami, B.,
The essential oil composition of Teucrium chamaedrys L. from Iran,
Flavour Fragr. J., 2005, 20, 5, 544-546, https://doi.org/10.1002/ffj.1479
. [all data]
Senatore, Apostolides Arnold, et al., 2005
Senatore, F.; Apostolides Arnold, N.; Bruno, M.,
Volatile components of Centaurea eryngioides Lam. and Centaurea liberica Trev. var. hermonis Boiss. Lam., two Asteraceae growing wild in Lebanon,
Nat. Prod. Res., 2005, 19, 8, 749-754, https://doi.org/10.1080/14786410412331302136
. [all data]
Utsunomia, Kawata, et al., 2005
Utsunomia, H.; Kawata, J.; Chanoki, W.; Shirakawa, N.; Miyazawa, M.,
Components of Essential Oil from Woods of Prunus mume Sieb. at Zucc.,
J. Oleo Sci., 2005, 54, 11, 609-612, https://doi.org/10.5650/jos.54.609
. [all data]
Tirillini, Pellegrino, et al., 2004
Tirillini, B.; Pellegrino, R.; Bini, L.M.,
Essential oil composition of Stachys sylvatica L. from Italy,
Flavour Fragr. J., 2004, 19, 4, 330-332, https://doi.org/10.1002/ffj.1308
. [all data]
Mazloomifar, Saber-Tehrani, et al., 2003
Mazloomifar, H.; Saber-Tehrani, M.; Rustaiyan, A.; Masoudi, S.,
Chemical composition of the essential oil of Ajuga chamaecistus Ging. ssp. chamaecistus from Iran,
J. Essent. Oil Res., 2003, 15, 1, 17-18, https://doi.org/10.1080/10412905.2003.9712250
. [all data]
Senatore and Bruno, 2003
Senatore, F.; Bruno, M.,
Composition of the essential oil of Pallenis spinosa (L.) Cass. (Asteraceae),
Flavour Fragr. J., 2003, 18, 3, 195-197, https://doi.org/10.1002/ffj.1180
. [all data]
Velickovic, Ristic, et al., 2003
Velickovic, A.S.; Ristic, M.S.; Velickovic, D.T.; Ilic, S.; Mitic, N.D.,
The possibilities of the application of some species of sage (Salvia L.) as auxiliaries in the treatment of some diseases,
J. Serb. Chem. Soc., 2003, 68, 6, 435-445, https://doi.org/10.2298/JSC0306435V
. [all data]
Das, Ram, et al., 2002
Das, M.; Ram, G.; Singh, A.; Mallavarapu, G.R.; Ramesh, S.; Ram, M.; Kumar, S.,
Volatile constituents of different plant parts of Chamomilla recutita L. Rausch grown in the Indo-Gangetic plains,
Flavour Fragr. J., 2002, 17, 1, 9-12, https://doi.org/10.1002/ffj.1035
. [all data]
Morteza-Semnani, Saeedi, et al., 2002
Morteza-Semnani, K.; Saeedi, M.; Vahedi, M.,
Volatile constituents of Iranian Hypericum perfloratum L.,
Oriental J. Chem., 2002, 18, 3, 443-444. [all data]
Brun, Bessière, et al., 2001
Brun, G.; Bessière, J.-M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M.,
Volatile components of Catharanthus roseus (L.) G. Don (Apocynaceae),
Flavour Fragr. J., 2001, 16, 2, 116-119, https://doi.org/10.1002/ffj.958
. [all data]
de Beck, Bessière, et al., 2000
de Beck, P.O.; Bessière, J.M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M.,
Volatile constituents from leaves and wood of Leea guineensis G. Don (Leeaceae) from Cameroon,
Flavour Fragr. J., 2000, 15, 3, 182-185, https://doi.org/10.1002/1099-1026(200005/06)15:3<182::AID-FFJ888>3.0.CO;2-X
. [all data]
Notes
Go To: Top, Normal alkane 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
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