Anisole
- Formula: C7H8O
- Molecular weight: 108.1378
- IUPAC Standard InChIKey: RDOXTESZEPMUJZ-UHFFFAOYSA-N
- CAS Registry Number: 100-66-3
- 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: Benzene, methoxy-; Anizol; Methoxybenzene; Methyl phenyl ether; Phenyl methyl ether; Ether, methyl phenyl-; UN 2222; Phenoxymethane; Anisol; NSC 7920
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Normal alkane 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 | AT-Wax | CP-Wax 52CB | CP-Wax 52CB | Supelcowax-10 | Carbowax 20M |
Column length (m) | 60. | 30. | 30. | 60. | 80. |
Carrier gas | Helium | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 40. | 40. | 40. | 70. |
Tend (C) | 280. | 220. | 220. | 200. | 170. |
Heat rate (K/min) | 4. | 4. | 4. | 3. | 2. |
Initial hold (min) | 1. | 1. | 3. | ||
Final hold (min) | 30. | ||||
I | 1310. | 1327. | 1327. | 1336. | 1327. |
Reference | Kiss, Csoka, et al., 2011 | Rohloff and Bones, 2005 | Rohloff and Bones, 2005 | Wong and Lai, 1996 | Egolf and Jurs, 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed |
---|---|
Active phase | Carbowax 20M |
Column length (m) | 2. |
Carrier gas | Hydrogen |
Substrate | Gas-Chrom Z (80-100 mesh) |
Column diameter (mm) | |
Phase thickness (μm) | |
Tstart (C) | 65. |
Tend (C) | 220. |
Heat rate (K/min) | 4. |
Initial hold (min) | |
Final hold (min) | |
I | 1358. |
Reference | Stancher and Pertoldi, 1967 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K.,
Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary,
J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]
Rohloff and Bones, 2005
Rohloff, J.; Bones, A.M.,
Volatile profiling of Arabidopsis thaliana - Putative olfactory compounds in plant communication,
Phytochemistry, 2005, 66, 16, 1941-1955, https://doi.org/10.1016/j.phytochem.2005.06.021
. [all data]
Wong and Lai, 1996
Wong, K.C.; Lai, F.Y.,
Volatile constituents from the fruits of four Syzygium species grown in Malaysia,
Flavour Fragr. J., 1996, 11, 1, 61-66, https://doi.org/10.1002/(SICI)1099-1026(199601)11:1<61::AID-FFJ539>3.0.CO;2-1
. [all data]
Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C.,
Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds,
Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027
. [all data]
Stancher and Pertoldi, 1967
Stancher, B.; Pertoldi, M.G.,
Characterization of commercial materials used in synthetic essential oil production. Identification and gas-chromatographic determination of impurities,
Rassegna chimica, 1967, 19, 3, 99-109. [all data]
Notes
Go To: Top, Normal alkane 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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