1,3,7-Octatriene, 3,7-dimethyl-
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
- IUPAC Standard InChIKey: XJPBRODHZKDRCB-CSKARUKUSA-N
- CAS Registry Number: 502-99-8
- 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. - Stereoisomers:
- Other names: α-Ocimene; Ocimene; 2,6-Dimethyl-1,5,7-octatriene; (3E)-3,7-Dimethyl-1,3,7-octatriene; 3,7-Dimethylocta-1,3,7-triene; alpha-Ocimene; 3,7-Dimethyl-1,3,7-octatriene; (Z)-α-Ocimene; 1,3,7-Octatrienene,3,7-dimethyl-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
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IR Spectrum
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, 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: Coblentz Society, Inc.
Spectrum
A digitized version of this spectrum is not currently available.
Additional Data
View scan of original (hardcopy) spectrum.
| Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Source reference | COBLENTZ NO. 4966 |
| Date | Not specified, most likely prior to 1970 |
| Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
| Data processing | (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE) |
Mass spectrum (electron ionization)
Go To: Top, IR Spectrum, Gas Chromatography, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Chemical Concepts |
| NIST MS number | 150505 |
Gas Chromatography
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1050. | Jalali-Heravi, Zekavat, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min, 250. C @ 20. min |
| Capillary | PTE-5 | 1050. | Gudzic, Dordevic, et al., 2001 | 60. m/0.32 mm/0.39 μm, H2, 4.3 K/min; Tstart: 60. C; Tend: 285. C |
| Capillary | DB-5 | 1052. | Rao, Rout, et al., 2000 | He, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 180. C |
| Capillary | OV-101 | 1038. | Padrayuttawat, Tamura, et al., 1996 | 50. m/0.25 mm/0.2 μm, N2, 2. K/min, 200. C @ 60. min; Tstart: 80. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1050. | Rao, Rout, et al., 2000 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1052. | Liu J.M., Nan P., et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min |
| Capillary | DB-1 | 1057. | Rezazadeh, Hamedani, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 1049. | Rezazadeh, Hamedani, et al., 2006 | 25. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | Petrocol DH | 1050. | Alonzo, Saiano, et al., 2001 | 100. m/0.25 mm/0.5 μm, He, 60. C @ 8. min, 4. K/min, 180. C @ 2. min |
| Capillary | DB-5 | 1042. | Tzakou, Roussis, et al., 1997 | He, 50. C @ 3. min, 5. K/min; Column length: 60. m; Column diameter: 0.24 mm; Tend: 280. C |
| Capillary | OV-101 | 1038. | Yang, Sugisawa, et al., 1992 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1039. | Yang, Sugisawa, et al., 1992 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1039. | Dharmawan, Kasapis, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C => 4C/min => 200C => 30C/min => 300C (3min) |
| Capillary | VF-5MS | 1041. | Carasek and Pawliszyn, 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C |
| Capillary | VF-5MS | 1041. | Carasek and Pawliszyn, 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C |
| Capillary | VF-5MS | 1041. | Carasek and Pawliszyn, 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C |
| Capillary | DB-5MS | 1052. | Eom S.H., Yang H.S., et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(3min) => 200C(2min) => 15C/min => 300C(5min) |
| Capillary | DB-5 | 1052. | Özel, Gögüs, et al., 2006 | Program: not specified |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1232. | Chen, Kuo, et al., 1986 | He, 50. C @ 5. min, 2. K/min, 200. C @ 40. min; Column length: 50. m; Column diameter: 0.32 mm |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1237. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
| Capillary | Supelcowax-10 | 1239. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1040. | Usman, Zubair, et al., 2010 | 25. m/0.25 mm/0.15 μm, 3. K/min; Tstart: 50. C; Tend: 230. C |
| Capillary | SPB-5 | 1047. | Gauvin-Bialecki and Marodon, 2009 | 60. m/0.35 mm/0.25 μm, Nitrogen, 4. K/min, 230. C @ 40. min; Tstart: 60. C |
| Capillary | HP-5MS | 1018. | Kim, El-Aty, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 5. K/min, 280. C @ 10. min |
| Capillary | BP-1 | 1032. | Moody, Gundidza, et al., 2006 | He, 70. C @ 2. min, 4. K/min, 220. C @ 10. min; Column length: 25. m; Column diameter: 0.3 mm |
| Capillary | DB-5 | 1052. | Ozel, Gogus, et al., 2006 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 0.5 min, 5. K/min, 280. C @ 2. min |
| Capillary | HP-5MS | 1046. | Petrakis, Roussis, et al., 2005 | 3. K/min; Column length: 30. m; Column diameter: 0.2 mm; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-5MS | 1046. | Congiu, Falconieri, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | OV-101 | 1039. | Yang, 2001 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1039. | Yang, 2001, 2 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | HP-5 | 1043. | Lis-Balchin and Roth, 2000 | He, 9. K/min, 200. C @ 10. min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 80. C |
| Capillary | HP-1 | 1039. | Meccia, Rojas, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min, 200. C @ 25. min |
| Capillary | Methyl Silicone | 1039.50 | Baraldi, Rapparini, et al., 1999 | 60. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | DB-5 | 1051. | Sun and Petracek, 1999 | H2, 32. C @ 5. min, 7. K/min, 260. C @ 5. min; Column length: 30. m; Column diameter: 0.32 mm |
| Capillary | SPB-5 | 1050. | Viallon C., Verdier-Metz I., et al., 1999 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 200. C @ 2. min |
| Capillary | OV-101 | 1038. | Yang and Sugisawa, 1990 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1040. | Yang and Sugisawa, 1990 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1038. | Sugisawa, Yang, et al., 1989 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1040. | Sugisawa, Yang, et al., 1989 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | SE-30 | 1040. | Alves and Jennings, 1979 | Helium, 2. K/min; Tstart: 70. C; Tend: 170. C |
| Capillary | SE-30+Igepal | 1051. | Shibamoto and Jennings, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
| Capillary | SE-30+Igepal | 1055. | Shibamoto and Jennings, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1049. | Courtois, Paine, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C |
| Capillary | HP-5MS | 1044. | Ning, Zheng, et al., 2008 | 30. m/0.25 mm/0.25 μm, He; Program: 40 0C (2 min) 3 0C/min -> 180 0C (2 min) 15 0C -> 280 0C |
| Capillary | CBP-5 | 1029. | Cheriti, Saad, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 3C/min => 240C => 10C/min => 300C |
| Capillary | HP-5MS | 1050. | Liu, Song, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 8C/min => 160C => 15C/min => 300C (10min) |
| Capillary | HP-5MS | 1041. | Mu, Wang, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 8C/min => 160C => 15C/min => 300C |
| Capillary | HP-5 | 1043. | Splivallo, Bossi, et al., 2007 | He; Program: 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) |
| Capillary | DB-1 | 1026. | de Lima, Maia, et al., 2006 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: 35C => 4C/min => 180C => 10C/min => 250C |
| Capillary | HP-5MS | 1051. | Deng, Yao, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 50C => 8C/min => 200C => 10C/min => 270C (5min) |
| Capillary | CP-Sil5 CB MS | 1031. | Iraqi, Vermeulen, et al., 2005 | 50. m/0.32 mm/1.2 μm; Program: 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) |
| Capillary | HP-5MS | 1041. | Deng, Li, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 60C => 10C/min => 160C => 12C/min => 300C (5min) |
| Capillary | MDN-5 | 1050. | Moretti, Madonia, et al., 2004 | 30. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (1 min) ballistically -> 60 0C 2 0C/min -> 120 0C 5 0C/min -> 280 0C (5 min) |
| Capillary | HP-5 | 1056. | Jordán, Margaría, et al., 2003 | 30. m/0.25 mm/0.25 μm; Program: 40C(6min) => 2.5C/min => 150C => 90C/min => 250C |
| Capillary | HP-5 | 1043. | Jordán, Goodner, et al., 2002 | 30. m/0.25 mm/0.25 μm; Program: not specified |
| Capillary | DB-5 | 1042. | Petrakis, Tsitsimpikou, et al., 2001 | Program: not specified |
| Capillary | OV-101 | 1038. | Yang, 2001 | N2; Column length: 50. m; Column diameter: 0.25 mm; Program: not specified |
| Capillary | DB-5 | 1033. | Storer, Elmore, et al., 1993 | 30. m/0.32 mm/1. μm; Program: 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min) |
| Capillary | DB-5 | 1037. | Storer, Elmore, et al., 1993 | 30. m/0.32 mm/1. μm; Program: 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min) |
| Capillary | SF96+Igepal | 1044. | Flath, Altieri, et al., 1984 | Column length: 152. m; Column diameter: 0.76 mm; Program: 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax | 1250. | Gauvin-Bialecki and Marodon, 2009 | 60. m/0.35 mm/0.25 μm, Nitrogen, 4. K/min, 230. C @ 40. min; Tstart: 60. C |
| Capillary | Supelcowax-10 | 1245. | Korány, Mednyánszky, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | Carbowax 20M | 1254. | Shibamoto and Jennings, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
| Capillary | Carbowax 20M | 1259. | Shibamoto and Jennings, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
References
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Jalali-Heravi, Zekavat, et al., 2006
Jalali-Heravi, M.; Zekavat, B.; Sereshti, H.,
Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques,
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Essential oils of Hypericum olympicum L. and Hypericum perforatum L.,
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A split injection system for the analysis of purge and trap headspace of the volatile components in Citrus sudachi,
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Composition of the essential oils of Pelargonium odoratissimum, P. exstipulatum, and P. x fragrans (Geraniaceae) and their bioactivity,
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Meccia, Rojas, et al., 2000
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Notes
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