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.
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 | DB-Wax | CP-Wax 52CB |
| Column length (m) | 30. | 30. | 30. | 50. | |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.2 | |
| 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) | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | not specified | 33C(1.5min) => 1.5C/min => 60C(4min) => 2C/min => 100C => 8C/min => 220C(15min) |
| I | 1169. | 1167. | 1169. | 1175. | 1151. |
| Reference | Bianchi, Cantoni, et al., 2007 | Bianchi, Careri, et al., 2007 | Bianchi, Careri, et al., 2007 | Elston, Lin, et al., 2005 | Kaack, Christensen, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | Stabilwax | Stabilwax | DB-Wax | DB-Wax |
| Column length (m) | 25. | 30. | 30. | 30. | 30. |
| Carrier gas | H2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 1. | 1. | 0.25 | 0.25 |
| Program | 40C(8min) => 3C/min => 180C => 20C/min => 230C(10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40 (5min) => 4C/min => 140C => 4C/min => 200C (20min) | 40 (5min) => 4C/min => 140C => 4C/min => 200C (20min) |
| I | 1121. | 1181. | 1168. | 1153. | 1150. |
| Reference | Lorenzo, Paz, et al., 2005 | Wang, Finn, et al., 2005 | Wang, Finn, et al., 2005 | Zheng, Kim, et al., 2005 | Zheng, Kim, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | RTX-Wax | Carbowax 20M | DB-Wax | BP-20 |
| Column length (m) | 30. | 25. | 30. | 25. | |
| Carrier gas | Helium | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.50 | 0.25 | 0.5 | 0.25 | |
| Program | not specified | not specified | 40C(8min) => 3C/min => 180C => 20C/min => 230C | 40C(2min) => 2C/min => 100C => 10C/min => 230C (5min) | 40C(8min) => 3C/min => 180C => 20C/min => 230C |
| I | 1168. | 1152. | 1167. | 1169. | 1145. |
| Reference | Bell, 2004 | Dugo, Mondello, et al., 2004 | Frizzo, Lorenzo, et al., 2004 | Klesk and Qian, 2003 | Lorenzo, Loayza, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Stabilwax | BP-20 | Carbowax 20M | Carbowax 20M | RTX-Wax |
| Column length (m) | 25. | 25. | 25. | 60. | |
| Carrier gas | He | He | H2 | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | 50C(8min) => 4C/min => 180C(10min) => 5C/min => 220C | 40 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C | 40C(8min) => 3C/min => 180C => 20C/min => 230C | 40C(8min) => 3C/min => 180C => 20C/min => 230C | not specified |
| I | 1156. | 1119. | 1124. | 1120. | 1160. |
| Reference | Hudaib, Speroni, et al., 2002 | Lorenzo, Loayza, et al., 2002 | Lorenzo, Paz, et al., 2002 | Lorenzo, Paz, et al., 2002 | Cavalli, Ranarivelo, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M | DB-Wax | BP-20 | Carbowax 20M |
| Column length (m) | 25. | 25. | 30. | ||
| Carrier gas | H2 | H2 | H2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | ||
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Program | 40 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C | 40 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C | 60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min) | not specified | not specified |
| I | 1113. | 1164. | 1154. | 1157. | 1120. |
| Reference | Lorenzo, Paz, et al., 2001 | Lorenzo, Saavedra, et al., 2001 | Boulanger and Crouzet, 2000 | Filippini, Tomi, et al., 2000 | Lorenzo, Dellacassa, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | FFAP | FFAP | FFAP | Carbowax 20M | FFAP |
| Column length (m) | 25. | 30. | 30. | 25. | 30. |
| Carrier gas | He | He | He | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min) | 40C(1min) => 40C/min => 60C => 6C/min => 230C | 40 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (5min) |
| I | 1154. | 1154. | 1163. | 1138. | 1158. |
| Reference | Steinhaus and Schieberle, 2000 | Buettner and Schieberle, 1999 | Jagella and Grosch, 1999 | Loayza, de Groot, et al., 1999 | Tairu, Hofmann, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | HP-Innowax | Supelcowax-10 | Supelcowax-10 | Carbowax 20M |
| Column length (m) | 30. | 60. | 60. | 30. | 150. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.75 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Program | 60C(8min) => 3C/min => 180C(5min) => 40C/min => 250C | 32C(1.5min) => 3C/min => 40C (10min) => 3C/min => 200C (10min) | 40C => (6C/min) => 80C(6min) => (15C/min) => 200C(10min) | 35C => 60C/min => 50C (5min) => 4C/min => 220C | not specified |
| I | 1160. | 1169. | 1155. | 1145. | 1150. |
| Reference | Bisio, Ciarallo, et al., 1998 | Iversen, Jakobsen, et al., 1998 | Cadwallader and Xu, 1994 | Schieberle and Grosch, 1988 | Whitfield, Shea, et al., 1981 |
| Comment | MSDC-RI | 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]
Elston, Lin, et al., 2005
Elston, A.; Lin, J.; Rouseff, R.,
Determination of the role of valencene in orange oil as a direct contributor to aroma quality,
Flavour Fragr. J., 2005, 20, 4, 381-386, https://doi.org/10.1002/ffj.1578
. [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]
Lorenzo, Paz, et al., 2005
Lorenzo, D.; Paz, D.; Davies, P.; Villamil, J.; Vila, R.; Canigueral, S.; Dellacassa, E.,
Application of Multidimensional Gas Chromatography to the Enantioselective Characterisation of the Essential Oil of Eupatorium buniifolium Hooker et Arnott,
Phytochem. Anal., 2005, 16, 1, 39-44, https://doi.org/10.1002/pca.808
. [all data]
Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C.,
Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis,
J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m
. [all data]
Zheng, Kim, et al., 2005
Zheng, C.H.; Kim, K.H.; Kim, T.H.; Lee, H.J.,
Analysis and characterization of aroma-active compounds of Schizandra chinensis (omija) leaves,
J. Sci. Food Agric., 2005, 85, 1, 161-166, https://doi.org/10.1002/jsfa.1975
. [all data]
Bell, 2004
Bell, W.A.-M.,
Examination of Aroma Volatiles Formed from Thermal Processing of Florida Reconstituted Grapefruit Juice. A Thesis presented to the graduate school of the university of Florida in partial fulfillment of the requirements for the degree of master of science, 2004. [all data]
Dugo, Mondello, et al., 2004
Dugo, P.; Mondello, L.; Zappia, G.; Bonaccorsi, I.; Cotroneo, A.; Russo, M.T.,
The composition of the volatile fraction and the enantiomeric distribution of five volatile components of faustrime oil (Monocitrus australatica x Fortunella sp. x Citrus aurantifolia),
J. Essent. Oil Res., 2004, 16, 4, 328-333, https://doi.org/10.1080/10412905.2004.9698734
. [all data]
Frizzo, Lorenzo, et al., 2004
Frizzo, C.D.; Lorenzo, D.; Dellacassa, E.,
Composition and seasonal variation of the essential oils from two mandarin cultivars of Southern Brazil,
J. Agric. Food Chem., 2004, 52, 10, 3036-3041, https://doi.org/10.1021/jf030685x
. [all data]
Klesk and Qian, 2003
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]
Lorenzo, Loayza, et al., 2003
Lorenzo, D.; Loayza, I.; Dellacassa, E.,
Composition of the essential oils from leaves of two Hedyosmum spp. from Bolivia,
Flavour Fragr. J., 2003, 18, 1, 32-35, https://doi.org/10.1002/ffj.1146
. [all data]
Hudaib, Speroni, et al., 2002
Hudaib, M.; Speroni, E.; di Pietra, A.M.; Cavrini, V.,
GC/MS evaluation of thyme (Thymus vulgaris L.) oil composition and variations during the vegetative cycle,
J. Pharm. Biomed. Anal., 2002, 29, 4, 691-700, https://doi.org/10.1016/S0731-7085(02)00119-X
. [all data]
Lorenzo, Loayza, et al., 2002
Lorenzo, D.; Loayza, I.; Dellacassa, E.,
Composition of the essential oil of Tagetes maxima Kuntze from Bolivia,
Flavour Fragr. J., 2002, 17, 2, 115-118, https://doi.org/10.1002/ffj.1062
. [all data]
Lorenzo, Paz, et al., 2002
Lorenzo, D.; Paz, D.; Dellacassa, E.; Davies, P.; Vila, R.; Cañigueral, S.,
Essential oils of Mentha pulegium and Mentha rotundifolia from Uruguay,
Braz. Arch. Biol. Technol., 2002, 45, 4, 519-524, https://doi.org/10.1590/S1516-89132002000600016
. [all data]
Cavalli, Ranarivelo, et al., 2001
Cavalli, J.-F.; Ranarivelo, L.; Ratsimbason, M.; Bernardini, A.-F.; Casanova, J.,
Constituents of the essential oil of six Helichrysum species from Madagascar,
Flavour Fragr. J., 2001, 16, 4, 253-256, https://doi.org/10.1002/ffj.994
. [all data]
Lorenzo, Paz, et al., 2001
Lorenzo, D.; Paz, D.; Davies, P.; Vila, R.; Canigueral, S.; Dellacassa, E.,
Composition of a new essential oil type of Lippia alba (Mill.) N.E. Brown from Uruguay,
Flavour Fragr. J., 2001, 16, 5, 356-359, https://doi.org/10.1002/ffj.1011
. [all data]
Lorenzo, Saavedra, et al., 2001
Lorenzo, D.; Saavedra, G.; Loayza, I.; Dellacassa, E.,
Composition of the essential oil of Erechtites hieracifolia from Bolivia,
Flavour Fragr. J., 2001, 16, 5, 353-355, https://doi.org/10.1002/ffj.1010
. [all data]
Boulanger and Crouzet, 2000
Boulanger, R.; Crouzet, J.,
Free and bound flavour components of Amazonian fruits: 2. cupuacu volatile compounds,
Flavour Fragr. J., 2000, 15, 4, 251-257, https://doi.org/10.1002/1099-1026(200007/08)15:4<251::AID-FFJ905>3.0.CO;2-2
. [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]
Lorenzo, Dellacassa, et al., 2000
Lorenzo, D.; Dellacassa, E.; Atti-Serafini, L.; Santos, A.C.; Frizzo, C.; Paroul, N.; Moyna, P.; Mondello, L.; Dugo, G.,
Composition and stereoanalysis of Cymbopogon winterianus Jowitt oil from Southern Brazil,
Flavour Fragr. J., 2000, 15, 3, 177-181, https://doi.org/10.1002/1099-1026(200005/06)15:3<177::AID-FFJ887>3.0.CO;2-M
. [all data]
Steinhaus and Schieberle, 2000
Steinhaus, M.; Schieberle, P.,
Comparison of the most odor-active compounds in fresh and dried hop cones (Humulus lupulus L. variety Spalter Select) based on GC-olfactometry and odor dilution techniques,
J. Agric. Food Chem., 2000, 48, 5, 1776-1783, https://doi.org/10.1021/jf990514l
. [all data]
Buettner and Schieberle, 1999
Buettner, A.; Schieberle, P.,
Characterization of the most odor-active volatiles in fresh, hand squeezed juice of grapefruit (Citrus paradise Macfayden),
J. Agric. Food Chem., 1999, 47, 12, 5189-5193, https://doi.org/10.1021/jf990071l
. [all data]
Jagella and Grosch, 1999
Jagella, T.; Grosch, W.,
Flavour and off-flavour compounds of black and white pepper ( Piper nigrum L.) I. Evaluation of potent odorants of black pepper by dilution and concentration techniques,
Eur. Food Res. Technol., 1999, 209, 1, 16-21, https://doi.org/10.1007/s002170050449
. [all data]
Loayza, de Groot, et al., 1999
Loayza, I.; de Groot, W.; Lorenzo, D.; Dellacassa, E.; Mondello, L.; Dugo, G.,
Composition of the essential oil of Porophyllum ruderale (Jacq.) Cass. from Bolivia,
Flavour Fragr. J., 1999, 14, 6, 393-398, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<393::AID-FFJ849>3.0.CO;2-5
. [all data]
Tairu, Hofmann, et al., 1999
Tairu, A.O.; Hofmann, T.; Schieberle, P.,
Characterization of the key aroma compounds in dried fruits of the West African peppertree Xylopia aethiopica (Dunal) A. Rich (Annonaceae) using aroma extract dilution analysis,
J. Agric. Food Chem., 1999, 47, 8, 3285-3287, https://doi.org/10.1021/jf990228+
. [all data]
Bisio, Ciarallo, et al., 1998
Bisio, A.; Ciarallo, G.; Romussi, G.; Fontana, N.; Mascolo, N.; Capasso, R.; Biscardi, D.,
Chemical Composition of Essential Oils from some Salvia species,
Phytother. Res., 1998, 12, S1, s117-s120, https://doi.org/10.1002/(SICI)1099-1573(1998)12:1+3.0.CO;2-2
. [all data]
Iversen, Jakobsen, et al., 1998
Iversen, C.K.; Jakobsen, H.B.; Olsen, C.-E.,
Aroma changes during black currant (Ribes nigrum L.) nectar processing,
J. Agric. Food Chem., 1998, 46, 3, 1132-1136, https://doi.org/10.1021/jf970513y
. [all data]
Cadwallader and Xu, 1994
Cadwallader, K.R.; Xu, Y.,
Analysis of volatile components in fresh grapefruit juice by purge and trap/gas chromatography,
J. Agric. Food Chem., 1994, 42, 3, 782-784, https://doi.org/10.1021/jf00039a036
. [all data]
Schieberle and Grosch, 1988
Schieberle, P.; Grosch, W.,
Identification of potent flavor compounds formed in an aqueous lemon oil/citric acid emulsion,
J. Agric. Food Chem., 1988, 36, 4, 797-800, https://doi.org/10.1021/jf00082a031
. [all data]
Whitfield, Shea, et al., 1981
Whitfield, F.B.; Shea, S.R.; Gillen, K.J.; Shaw, K.J.,
Volatile components from the roots of Acacia pulchella R.Br. and their effect on Phytophthora cinnamomi rands,
Aust. J. Bot., 1981, 29, 2, 195-208, https://doi.org/10.1071/BT9810195
. [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
- 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.