Thiocyanic acid, phenylmethyl ester
- Formula: C8H7NS
- Molecular weight: 149.213
- IUPAC Standard InChI: InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
- IUPAC Standard InChIKey: ABNDFSOIUFLJAH-UHFFFAOYSA-N
- CAS Registry Number: 3012-37-1
- 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: Thiocyanic acid, benzyl ester; α-Thiocyanatotoluene; Benzylthiocyanate; Solvat 14; Toluene, α-thiocyanato-; Tropeolin
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Gas Chromatography
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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
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Apieson L | 200. | 1313. | Wahlroos and Saarivirta, 1964 | Argon, Chromosorb P, silanized + 1 % Na caproate (60-80 mesh); Column length: 1.8 m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1339. | Tellez, Khan, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wahlroos and Saarivirta, 1964
Wahlroos, O.; Saarivirta, M.,
Benzyl cyanide, benzyl thiocyanate, and benzyl isothiocyanate, gas chromatographic data and determination,
Acta Chemica Scandinavica, 1964, 18, 2191-2193, https://doi.org/10.3891/acta.chem.scand.18-2191
. [all data]
Tellez, Khan, et al., 2002
Tellez, M.R.; Khan, I.A.; Kobaisy, M.; Schrader, K.K.; Dayan, F.E.; Osbrink, W.,
Composition of the essential oil of Lepidium meyenii (Walp.),
Phytochemistry, 2002, 61, 2, 149-155, https://doi.org/10.1016/S0031-9422(02)00208-X
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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