Benzeneacetic acid, octyl ester
- Formula: C16H24O2
- Molecular weight: 248.3606
- IUPAC Standard InChI: InChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-18-16(17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
- IUPAC Standard InChIKey: VGYPAVUJUMQTGE-UHFFFAOYSA-N
- CAS Registry Number: 122-45-2
- 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: phenylacetic acid octyl ester; octyl phenylacetate
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Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | V.Zaikin,Topchiev Inst.Petrochem.Synth.,Moscow |
| NIST MS number | 281802 |
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-1 | 160. | 1800.3 | Mijin and Antonovic, 2006 | 30. m/0.256 mm/0.25 μm, N2 |
| Capillary | DB-5 | 160. | 1830.31 | Mijin and Antonovic, 2006 | 60. m/0.321 mm/0.25 μm, N2 |
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.
Mijin and Antonovic, 2006
Mijin, D.; Antonovic, D.G.,
The temperature dependence of the retention index for n-alkyl esters of acetic, propionic, cyclohexanecarboxylic, benzoic and phenylacetic acid on DB-1 and DB-5 capillary columns,
J. Serb. Chem. Soc., 2006, 71, 6, 629-637, https://doi.org/10.2298/JSC0606629M
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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