6-Octen-1-ol, 3,7-dimethyl-, acetate
- Formula: C12H22O2
- Molecular weight: 198.3019
- IUPAC Standard InChI: InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
- IUPAC Standard InChIKey: JOZKFWLRHCDGJA-UHFFFAOYSA-N
- CAS Registry Number: 150-84-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Citronellol acetate; Citronellyl acetate; Natural rhodinol, acetylated; 3,7-Dimethyl-6-octenyl acetate; β-Citronellyl acetate; Acetic acid, citronellyl ester; Acetic acid, 3,7-dimethyl-6-octen-1-yl ester; 1-Acetoxy-3,7-dimethyloct-6-ene; 2-Octen-8-ol, 2,6-dimethyl-, acetate; 3,7-Dimethyl-6-octen-1-yl acetate; Cephreine; β-Citronellol, acetate; CitronellyI acetate; 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate; NSC 4893; Cytronellyl acetate; Acetic acid, rhodinyl ester
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- Other data available:
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Van Den Dool and Kratz 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 | BP-20 | BP-20 | BP-20 | DB-Wax | DB-Wax |
| Column length (m) | 50. | 50. | 50. | 60. | 30. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.22 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 70. | 40. |
| Tend (C) | 220. | 220. | 220. | 230. | 250. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. | 3. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 20. | 20. | 20. | 20. | 20. |
| I | 1657. | 1662. | 1658. | 1666. | 1655. |
| Reference | Boti, Koukoua, et al., 2007 | Duquesnoy, Castola, et al., 2007 | Gonny, Cavaleiro, et al., 2006 | Choi, 2005 | Fanciullino, Gancel, 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 | Supelcowax-10 | HP-Wax | DB-Wax | RTX-Wax |
| Column length (m) | 30. | 60. | 30. | 60. | 30. |
| Carrier gas | He | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 60. | 32. | 45. |
| Tend (C) | 250. | 200. | 220. | 220. | 240. |
| Heat rate (K/min) | 3. | 2. | 5. | 3. | 3. |
| Initial hold (min) | 10. | 6. | |||
| Final hold (min) | 20. | 10. | 10. | ||
| I | 1658. | 1623. | 1648. | 1662. | 1648. |
| Reference | Gancel, Ollitrault, et al., 2005 | Smadja, Rondeau, et al., 2005 | Bertoli, Pistelli, et al., 2004 | Brophy, Goldsack, et al., 2004 | Dugo, Mondello, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax | DB-Wax | DB-Wax | BP-20 | BP-20 |
| Column length (m) | 25. | 60. | 60. | 50. | 50. |
| Carrier gas | N2 | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.22 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 35. | 70. | 40. | 60. | 60. |
| Tend (C) | 225. | 230. | 245. | 220. | 220. |
| Heat rate (K/min) | 4. | 2. | 1.5 | 2. | 2. |
| Initial hold (min) | 5. | 2. | |||
| Final hold (min) | 10. | 20. | 20. | 20. | |
| I | 1675. | 1663. | 1658. | 1654. | 1654. |
| Reference | Chisholm, Wilson, et al., 2003 | Choi, 2003 | Gancel, Ollitrault, et al., 2003 | Lota, de Rocca Serra, et al., 2002 | Lota, Serra, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | BP-20 | BP-20 |
| Column length (m) | 60. | 60. | 60. | 50. | 50. |
| Carrier gas | He | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.5 | 0.53 | 0.25 | 0.22 | 0.22 |
| Phase thickness (μm) | 0.32 | 1.0 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 50. | 70. | 60. | 60. |
| Tend (C) | 290. | 220. | 230. | 230. | 230. |
| Heat rate (K/min) | 4. | 3. | 2. | 2. | 2. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 5. | 20. | 35. | 35. | |
| I | 1673. | 1668. | 1668. | 1657. | 1657. |
| Reference | Bartley and Jacobs, 2000 | Brophy, Goldsack, et al., 2000 | Choi and Sawamura, 2000 | Lota, Serra, et al., 1999 | Lota, Serra, et al., 1999 |
| 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 | Carbowax 20M | CP-Wax 52CB |
| Column length (m) | 25. | 60. | 60. | 50. | 50. |
| Carrier gas | He | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.2 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.425 | 0.2 | |
| Tstart (C) | 50. | 50. | 45. | 30. | 50. |
| Tend (C) | 240. | 180. | 300. | 170. | 200. |
| Heat rate (K/min) | 4. | 2.5 | 3. | 4. | 1.5 |
| Initial hold (min) | 3. | 5. | 3. | 2. | 10. |
| Final hold (min) | 20. | 20. | 40. | ||
| I | 1657. | 1644. | 1651. | 1643. | 1660. |
| Reference | Möllenbeck, König, et al., 1997 | Stashenko, Prada, et al., 1996 | Mondello, Dugo, et al., 1995 | Píry, Príbela, et al., 1995 | Wu and Yang, 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | ||||
| Tstart (C) | 40. | 50. | 50. | 50. | 50. |
| Tend (C) | 220. | 240. | 240. | 240. | 240. |
| Heat rate (K/min) | 3. | 2. | 2. | 2. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1662. | 1661.6 | 1663.3 | 1661.4 | 1661.6 |
| Reference | Le Quere and Latrasse, 1990 | Chang, Sheng, et al., 1989 | Chang, Sheng, et al., 1989 | Chang, Sheng, et al., 1989 | Chang, Sheng, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Carbowax 20M |
| Column length (m) | 60. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | |
| Tstart (C) | 50. |
| Tend (C) | 225. |
| Heat rate (K/min) | 1.5 |
| Initial hold (min) | |
| Final hold (min) | 80. |
| I | 1648. |
| Reference | Chen and Ho, 1988 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Boti, Koukoua, et al., 2007
Boti, J.B.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J.,
Chemical variability of Conyza sumatrensis and Microglossa pyrifolia from Côte d'Ivoire,
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Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
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Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil,
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Effects of Nucleo-cytoplasmic Interactions on Leaf Volatile Compounds from Citrus Somatic Diploid Hybrids,
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Leaf volatile compounds of six citrus somatic allotetraploid hybrids originating from various combinations of lime, lemon, citron, sweet orange, and grapefruit,
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Volatile constituents of five Citrus Petitgrain essential oils from Reunion,
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Volatile constituents of different parts (roots, stems and leaves) of Smyrnium olusatrum L.,
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Brophy, Goldsack, et al., 2004
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Chemistry of the Australian gymnosperms. Part VII. The leaf oils of the genus Actinostrobus,
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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),
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Characterization of aroma volatiles in key lime essential oils (Cirtrus aurantifolia Swingle),
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Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil,
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Gancel, Ollitrault, et al., 2003
Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M.,
Leaf volatile compounds of seven citrus somatic tetraploid hybrids sharing willow leaf mandarin (Citrus deliciosa Ten.) as their common parent,
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Lota, de Rocca Serra, et al., 2002
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Lota, Serra, et al., 2001
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Bartley and Jacobs, 2000
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Effects of drying on flavour compounds in Australian-grown ginger (Zingiber officinale),
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Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu),
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Lota, Serra, et al., 1999
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Le Quere, J.-L.; Latrasse, A.,
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Retention index of essential oil in temperature-programmed capillary column gas chromatography,
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Gas chromatographic analysis of volatile components of ginger oil (Zingiber officinale Roscoe) extracted with liquid carbon dioxide,
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Notes
Go To: Top, Van Den Dool and Kratz 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
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