Apiol
- Formula: C12H14O4
- Molecular weight: 222.2372
- IUPAC Standard InChI: InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3
- IUPAC Standard InChIKey: QQRSPHJOOXUALR-UHFFFAOYSA-N
- CAS Registry Number: 523-80-8
- 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. - Other names: 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propenyl)-; Benzene, 1-allyl-2,5-dimethoxy-3,4-(methylenedioxy)-; Apiole; Apioline; Parsley apiole; Parsley camphor; 1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)benzene; 4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole; 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propen-1-yl)-; NSC 9070; Green Apiol; 5-allyl-4,7-dimethoxy-1,3-benzodioxole; 4,7-Dimethoxy-5-(2-propen-1-yl)-1,3-benzodioxole (apiol)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- 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.
Normal alkane RI, non-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 | HP-5 MS | HP-5 MS | DB-1 | HP-5MS | Methyl Silicone |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | Helium | Helium | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | 60 0C (1 min) 10 0C -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min) | 50 0C (1.5 min) 10 0C/min -> 180 0C (2 min) 6 0C/min -> 280 0C (10 min) | not specified | 60C => 1.5C/min => 185C(1min) => 9C/min => 275C(2min) | not specified |
| I | 1682. | 1696. | 1682. | 1671. | 1676. |
| Reference | Chu, Liu, et al., 2011 | Wang, Xu, et al., 2011 | Xu, Tang, et al., 2010 | Singh, Marimuthu, et al., 2006 | Couladis, Özcan, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5 | DB-5 |
| Column length (m) | 30. | |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | |
| Phase thickness (μm) | 0.25 | |
| Program | not specified | 40C => 2C/min => 60C => 4C/min => 260C |
| I | 1679. | 1682. |
| Reference | Lo Cantore, Iacobellis, et al., 2004 | Andrade, Maia, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Chu, Liu, et al., 2011
Chu, S.S.; Liu, S.L.; Liu, Q.Z.; Liu, Z.L.; Du, S.S.,
Composition and toxicity of Chinese Dracocephalum moldavica (Labiatae) essential oil against two grain storage insects,
J. Med. Plants Res., 2011, 5, 21, 5262-5267. [all data]
Wang, Xu, et al., 2011
Wang, J.; Xu, L.; Yang, L.; Liu, Z.; Zhou, L.,
Composition, antibacterial and antioxidant activities of essential oils from Ligusticum sinense and L. jaholense (Unvelliferae) from China,
Rec. Nat. Prod., 2011, 5, 4, 314-318. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [all data]
Singh, Marimuthu, et al., 2006
Singh, G.; Marimuthu, P.; de Heluani, C.S.; Catalan, C.A.N.,
Antioxidant and biocidal activities of Carum nigrum (seed) essential oil, oleoresin, and their selected components,
J. Agric. Food Chem., 2006, 54, 1, 174-181, https://doi.org/10.1021/jf0518610
. [all data]
Couladis, Özcan, et al., 2004
Couladis, M.; Özcan, M.; Tzakou, O.; Akgül, A.,
Menengic (Pistacia terebinthus L.) agacinin degisik organlarinda ucucu yag bilesimi, Bitkisel Ilac Hammaddeleri Toplantisi, Bildiriler, 29-31 Mayis 2002, 2004, 6. [all data]
Lo Cantore, Iacobellis, et al., 2004
Lo Cantore, P.; Iacobellis, N.S.; de Marco, A.; Capasso, F.; Senatore, F.,
Antibacterial activity of Coriandrum sativum L. and Foeniculum vulgare Miller Var. vulgare (Miller) essential oils,
J. Agric. Food Chem., 2004, 52, 26, 7862-7866, https://doi.org/10.1021/jf0493122
. [all data]
Andrade, Maia, et al., 2000
Andrade, E.H.A.; Maia, J.G.S.; Zoghbi, M.G.B.,
Aroma volatile constituents of Brazilian varieties of mango fruit,
J. Food Comp. Anal., 2000, 13, 1, 27-33, https://doi.org/10.1006/jfca.1999.0841
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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.