3-Buten-2-one, 4-phenyl-, (E)-
- Formula: C10H10O
- Molecular weight: 146.1858
- IUPAC Standard InChI: InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
- IUPAC Standard InChIKey: BWHOZHOGCMHOBV-BQYQJAHWSA-N
- CAS Registry Number: 1896-62-4
- 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) - Stereoisomers:
- Other names: trans-Benzalacetone; trans-Benzylidenacetone; trans-Benzylideneacetone; Methyl trans-styryl ketone; trans-4-Phenyl-3-butene-2-one; TPBO; trans-4-Phenyl-3-buten-2-one; (3E)-4-Phenyl-3-buten-2-one; (E)-1-Buten-3-one, 1-phenyl; (E)-4-Phenylbut-3-en-2-one; trans-4-phenylbut-3-en-2-one
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Phase change data
Go To: Top, Reaction thermochemistry data, Gas Chromatography, 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: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 535.2 | K | N/A | Weast and Grasselli, 1989 |
Reaction thermochemistry data
Go To: Top, Phase change data, Gas Chromatography, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
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=
By formula: H2 + C10H10O = C10H12O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -122.3 | kcal/mol | Chyd | Veselova and Sul'man, 1980 | liquid phase |
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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1330. | Mevy, Bessiere, et al., 2004 | 30. m/0.25 mm/0.15 μm, 60. C @ 3. min, 3. K/min; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1323. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 2032. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Veselova and Sul'man, 1980
Veselova, M.E.; Sul'man, E.M.,
Effect of the chemical structure of α,β-unsaturated esters and ketones on the selectivity of their hydrogenation,
Svoistva Veshchestv i Stroenie Molekul, Kalinin, 1980, 140-143. [all data]
Mevy, Bessiere, et al., 2004
Mevy, J.P.; Bessiere, J.M.; Pelissier, Y.; Masotti, V.; Ruzzier, M.; Rabier, J.; Viano, J.,
Composition of the volatile constituents of the aerial parts of an endemic plant of Ivory Coast, Monanthotaxis capea (E.G. A. Camus) Verdc,
Flavour Fragr. J., 2004, 19, 6, 526-528, https://doi.org/10.1002/ffj.1329
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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