1,5-Heptadien-4-one, 3,3,6-trimethyl-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-6-10(4,5)9(11)7-8(2)3/h6-7H,1H2,2-5H3
- IUPAC Standard InChIKey: OTYVBQZXUNBRTK-UHFFFAOYSA-N
- CAS Registry Number: 546-49-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Artemisia ketone; Isoartemisia ketone; 2,5,5-Trimethyl-2,6-heptadien-4-one; Artemesia; Artemesia ketone; Hepta-1,5-dien-4-one, 3,3,6-trimethyl; 3,3,6-Trimethylhepta-1,5-dien-4-one; 3,3,6-Trimethyl-1,5-heptadien-4-one
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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 | RTX-1 | HP-5MS | DB-5 | DB-1 | DB-1 |
| Column length (m) | 60. | 30. | 50. | 30. | 30. |
| Carrier gas | He | He | N2 | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.2 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 50. | 50. |
| Tend (C) | 230. | 280. | 220. | 200. | 250. |
| Heat rate (K/min) | 2. | 3. | 5. | 5. | 2. |
| Initial hold (min) | 3. | 8. | |||
| Final hold (min) | 30. | 5. | |||
| I | 1041. | 1064. | 1062. | 1069. | 1040. |
| Reference | Muselli, Rossi, et al., 2007 | Vagionas, Ngassapa, et al., 2007 | Esmaeili, Nematollahi, et al., 2006 | Agnaniet, Makani, et al., 2005 | Dob, Dahmane, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5 | HP-5 |
| Column length (m) | 30. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. |
| Tend (C) | 260. | 280. |
| Heat rate (K/min) | 2. | 3. |
| Initial hold (min) | 5. | |
| Final hold (min) | 20. | |
| I | 1070. | 1062. |
| Reference | Senatore, Napolitano, et al., 2005 | Ngassapa, Runyoro, et al., 2003 |
| Comment | 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.
Muselli, Rossi, et al., 2007
Muselli, A.; Rossi, P.-G.; Desjobert, J.-M.; Bernardini, A.-F.; Berti, L.; Costa, J.,
Chemical composition and antibacterial activity of Otanthus maritimus (L.) Hoffmanns. Link essential oils from Corsica,
Flavour Fragr. J., 2007, 22, 3, 217-223, https://doi.org/10.1002/ffj.1787
. [all data]
Vagionas, Ngassapa, et al., 2007
Vagionas, K.; Ngassapa, O.; Runyoro, D.; Graikou, K.; Gortzi, O.; Chinou, I.,
Chemical analysis of edible aromatic plants growing in Tanzania,
Food Chem., 2007, 105, 4, 1711-1717, https://doi.org/10.1016/j.foodchem.2007.05.029
. [all data]
Esmaeili, Nematollahi, et al., 2006
Esmaeili, A.; Nematollahi, F.; Rustaiyan, A.; Moazami, N.; Masoudi, S.; Bamasian, S.,
Volatile constituents of Achillea pachycephala, A. oxyodonta and A. biebersteinii from Iran,
Flavour Fragr. J., 2006, 21, 2, 253-256, https://doi.org/10.1002/ffj.1571
. [all data]
Agnaniet, Makani, et al., 2005
Agnaniet, H.; Makani, T.; Akagah, A.; Menut, C.; Bessière, J.M.,
Volatile constituents and antioxidant activity of essential oils from Lippia multiflora Mold. growing in Gabon,
Flavour Fragr. J., 2005, 20, 1, 34-38, https://doi.org/10.1002/ffj.1383
. [all data]
Dob, Dahmane, et al., 2005
Dob, T.; Dahmane, D.; Berramdane, T.; Chelghoum, C.,
Chemical composition of the essential oil of Artemisia campestris L. from Algeria,
Pharm. Biol., 2005, 43, 6, 512-514, https://doi.org/10.1080/13880200500220664
. [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]
Ngassapa, Runyoro, et al., 2003
Ngassapa, O.; Runyoro, D.K.B.; Harvala, E.; Chinou, I.B.,
Composition and antimicrobial activity of essential oils of two populations of Tanzanian Lippia javanica (Burm. f.) Spreng. (Verbenaceae),
Flavour Fragr. J., 2003, 18, 3, 221-224, https://doi.org/10.1002/ffj.1195
. [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
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