β-Myrcene
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
- IUPAC Standard InChIKey: UAHWPYUMFXYFJY-UHFFFAOYSA-N
- CAS Registry Number: 123-35-3
- 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: 1,6-Octadiene, 7-methyl-3-methylene-; Myrcene; 7-Methyl-3-methylene-1,6-octadiene; 7-Methyl-3-methyleneoctadiene-(1,6); 2-Methyl-6-methylene-2,7-octadiene; 3-Methylene-7-methyl-1,6-octadiene; β-Geraniolene; 7-Methyl-3-methyleneocta-1,6-diene; beta-Myrcene; Myrcene, β-; NSC 406264; b-myrcene; β-mircene; 7-methyl-3-methylene-1,6-octadiene (myrcene); 7-methyl-3-methylene-1,6-octadiene (β-myrcene)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Kovats' RI, 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 | Stabilwax | HP-Wax | DB-Wax | Innowax | Innowax |
| Column length (m) | 30. | 50. | 30. | 30. | 50. |
| Carrier gas | N2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.2 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 1. | 0.4 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 40. | 50. | 50. |
| Tend (C) | 220. | 230. | 220. | 250. | 180. |
| Heat rate (K/min) | 2. | 4. | 3. | 0.5 | 2.5 |
| Initial hold (min) | 3. | 5. | 5. | 5. | |
| Final hold (min) | 15. | 30. | 10. | ||
| I | 1173. | 1164. | 1164. | 1145. | 1166. |
| Reference | Hazzit, Baaliouamer, et al., 2006 | Gauvin, Lecomte, et al., 2004 | Lopes, Strobl, et al., 2004 | Viña and Murillo, 2003 | Yáñez, Pinzón, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M | Supelcowax-10 |
| Column length (m) | 50. | 50. | 25. | 25. | 30. |
| Carrier gas | N2 | N2 | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.5 | |
| Phase thickness (μm) | 0.2 | 0.2 | |||
| Tstart (C) | 60. | 60. | 60. | 60. | 40. |
| Tend (C) | 260. | 260. | 200. | 200. | 210. |
| Heat rate (K/min) | 2. | 2. | 5. | 5. | 2. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 120. | ||||
| I | 1156. | 1162. | 1155. | 1162. | 1162. |
| Reference | Vera and Chane-Ming, 1999 | Vera and Chane-Ming, 1999 | Kulkarni, Mallavarapu, et al., 1998 | Mallavarapu, Rao, et al., 1998 | Loayza, Abujder, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | DB-Wax | Supelcowax-10 | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 40. | 40. | 35. | 40. | 40. |
| Tend (C) | 210. | 200. | 200. | 200. | 200. |
| Heat rate (K/min) | 2. | 2. | 3. | 3. | 3. |
| Initial hold (min) | 2. | 2. | 5. | 5. | 5. |
| Final hold (min) | 120. | 20. | |||
| I | 1163. | 1160. | 1156. | 1165. | 1167. |
| Reference | Loayza, Abujder, et al., 1995 | Umano, Hagi, et al., 1994 | Wong and Tie, 1993 | Tatsuka, Suekane, et al., 1990 | Tatsuka, Suekane, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Carbowax 20M | BP-20 | Carbowax 20M |
| Column length (m) | 60. | 60. | 50. | 25. | 50. |
| Carrier gas | He | H2 | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.3 | 0.332 | 0.3 |
| Phase thickness (μm) | 0.15 | ||||
| Tstart (C) | 40. | 40. | 70. | 70. | 70. |
| Tend (C) | 220. | 220. | 210. | 200. | 210. |
| Heat rate (K/min) | 2. | 2. | 2. | 4. | 2. |
| Initial hold (min) | 10. | 10. | 2. | ||
| Final hold (min) | |||||
| I | 1165. | 1162. | 1176. | 1169. | 1169. |
| Reference | Umano and Shibamoto, 1988 | Umano and Shibamoto, 1988 | Randriamiharisoa and Gaydou, 1987 | Wyllie, Cook, et al., 1987 | Gaydou, Randriamiharisoa, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
| Column length (m) | 100. | 100. | 150. | 150. | 50. |
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.28 | 0.28 | 0.64 | 0.64 | 0.28 |
| Phase thickness (μm) | |||||
| Tstart (C) | 80. | 80. | 50. | 50. | 80. |
| Tend (C) | 200. | 200. | 170. | 170. | 200. |
| Heat rate (K/min) | 3. | 3. | 1. | 1. | 2. |
| Initial hold (min) | 30. | 30. | |||
| Final hold (min) | |||||
| I | 1149. | 1150. | 1160. | 1160. | 1150. |
| Reference | Bernhard, Shibamoto, et al., 1983 | Bernhard, Shibamoto, et al., 1983 | Buttery, Kamm, et al., 1982 | Buttery, Ling, et al., 1982 | Toda, Yamaguchi, et al., 1982 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
| Column length (m) | 50. | 50. | 50. | 50. |
| Carrier gas | N2 | N2 | He | |
| Substrate | ||||
| Column diameter (mm) | 0.28 | 0.28 | 0.28 | 0.28 |
| Phase thickness (μm) | ||||
| Tstart (C) | 80. | 80. | 80. | 70. |
| Tend (C) | 200. | 200. | 200. | 190. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. |
| Initial hold (min) | ||||
| Final hold (min) | ||||
| I | 1151. | 1137. | 1140. | 1166. |
| Reference | Toda, Yamaguchi, et al., 1982 | Yamaguchi and Shibamoto, 1979 | Yamaguchi and Shibamoto, 1979 | Tressl, Friese, et al., 1978 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, 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.
Hazzit, Baaliouamer, et al., 2006
Hazzit, M.; Baaliouamer, A.; Faleiro, M.L.; Miguel, M.G.,
Composition of the Essential Oils of Thymus and Origanum Species from Algeria and Their Antioxidant and Antimicrobial Activities,
J. Agric. Food Chem., 2006, 54, 17, 6314-6321, https://doi.org/10.1021/jf0606104
. [all data]
Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J.,
Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island,
Flavour Fragr. J., 2004, 19, 5, 455-460, https://doi.org/10.1002/ffj.1354
. [all data]
Lopes, Strobl, et al., 2004
Lopes, D.; Strobl, H.; Kolodziejczyk, P.,
14-Methylpentadecano-15-lactone (Muscolide): a new macrocyclic lactone from the oil of Angelica archangelica L.,
Chemistry and Biodiversity, 2004, 1, 12, 1880-1887, https://doi.org/10.1002/cbdv.200490144
. [all data]
Viña and Murillo, 2003
Viña, A.; Murillo, E.,
Essential oil composition from twelve varieties of basil (Ocimum spp) grown in Columbia,
J. Braz. Chem. Soc., 2003, 14, 5, 744-749, https://doi.org/10.1590/S0103-50532003000500008
. [all data]
Yáñez, Pinzón, et al., 2002
Yáñez, X.; Pinzón, M.L.; Solano, F.; Sánchez, L.R.,
Chemical composition of the essential oil of Psidium caudatum McVaugh,
Molecules, 2002, 7, 9, 712-716, https://doi.org/10.3390/70900712
. [all data]
Vera and Chane-Ming, 1999
Vera, R.R.; Chane-Ming, J.,
Chemical composition of the essential oil of marjoram (Origanum majorana L.) from Reunion Island,
Food Chem., 1999, 66, 2, 143-145, https://doi.org/10.1016/S0308-8146(98)00018-1
. [all data]
Kulkarni, Mallavarapu, et al., 1998
Kulkarni, R.N.; Mallavarapu, G.R.; Baskaran, K.; Ramesch, S.; Kumar, S.,
Composition of the essential oils of two isomenthone-rich variants of geranium (Pelargonium sp.),
Flavour Fragr. J., 1998, 13, 6, 389-392, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<389::AID-FFJ757>3.0.CO;2-2
. [all data]
Mallavarapu, Rao, et al., 1998
Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K.,
Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.),
Flavour Fragr. J., 1998, 13, 3, 167-169, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<167::AID-FFJ719>3.0.CO;2-B
. [all data]
Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7
. [all data]
Umano, Hagi, et al., 1994
Umano, K.; Hagi, Y.; Tamura, T.; Shoji, A.; Shibamoto, T.,
Identification of volatile compounds isolated from round kumquat (Fortunella japonica Swingle),
J. Agric. Food Chem., 1994, 42, 9, 1888-1890, https://doi.org/10.1021/jf00045a011
. [all data]
Wong and Tie, 1993
Wong, K.C.; Tie, D.Y.,
The Essential Oil of the Leaves of Murraya koenigii Spreng.,
J. Essent. Oil Res., 1993, 5, 4, 371-374, https://doi.org/10.1080/10412905.1993.9698245
. [all data]
Tatsuka, Suekane, et al., 1990
Tatsuka, K.; Suekane, S.; Sakai, Y.; Sumitani, H.,
Volatile constituents of kiwi fruit flowers: simultaneous distillation and extraction versus headspace sampling,
J. Agric. Food Chem., 1990, 38, 12, 2176-2180, https://doi.org/10.1021/jf00102a015
. [all data]
Umano and Shibamoto, 1988
Umano, K.; Shibamoto, T.,
A new method of headspace sampling: grapefruit volatiles
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 981-998. [all data]
Randriamiharisoa and Gaydou, 1987
Randriamiharisoa, R.P.; Gaydou, E.M.,
Composition of Palmarosa (Cymbopogon martinii) essential oil from Madagascar,
J. Agric. Food Chem., 1987, 35, 1, 62-66, https://doi.org/10.1021/jf00073a015
. [all data]
Wyllie, Cook, et al., 1987
Wyllie, S.G.; Cook, D.; Brophy, J.J.; Richter, K.M.,
Volatile flavor components of Annona atemoya (custard apple),
J. Agric. Food Chem., 1987, 35, 5, 768-770, https://doi.org/10.1021/jf00077a029
. [all data]
Gaydou, Randriamiharisoa, et al., 1986
Gaydou, E.M.; Randriamiharisoa, R.; Bianchini, J.-P.,
Composition of the essential oil of ylang-ylang (Canaga odorata Hook Fil. et Thomson forma genuina) from Madagascar,
J. Agric. Food Chem., 1986, 34, 3, 481-487, https://doi.org/10.1021/jf00069a028
. [all data]
Bernhard, Shibamoto, et al., 1983
Bernhard, R.A.; Shibamoto, T.; Yamaguchi, K.; White, E.,
The volatile constituents of Schinus molle L.,
J. Agric. Food Chem., 1983, 31, 2, 463-466, https://doi.org/10.1021/jf00116a075
. [all data]
Buttery, Kamm, et al., 1982
Buttery, R.G.; Kamm, J.A.; Ling, L.C.,
Volatile components of alfalfa flowers and pods,
J. Agric. Food Chem., 1982, 30, 4, 739-742, https://doi.org/10.1021/jf00112a028
. [all data]
Buttery, Ling, et al., 1982
Buttery, R.G.; Ling, L.C.; Wellso, S.G.,
Oat leaf volatiles: possible insect attractants,
J. Agric. Food Chem., 1982, 30, 4, 791-792, https://doi.org/10.1021/jf00112a045
. [all data]
Toda, Yamaguchi, et al., 1982
Toda, H.; Yamaguchi, K.; Shibamoto, T.,
Isolation and identification of banana-like aroma from banana shrub (Michellia figo Spreng),
J. Agric. Food Chem., 1982, 30, 1, 81-84, https://doi.org/10.1021/jf00109a017
. [all data]
Yamaguchi and Shibamoto, 1979
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of Castanopsis flower,
J. Agric. Food Chem., 1979, 27, 4, 847-850, https://doi.org/10.1021/jf60224a025
. [all data]
Tressl, Friese, et al., 1978
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H.,
Studies of the volatile composition of hops during storage,
J. Agric. Food Chem., 1978, 26, 6, 1426-1430, https://doi.org/10.1021/jf60220a036
. [all data]
Notes
Go To: Top, Kovats' RI, 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.