D-Verbenone
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1
- IUPAC Standard InChIKey: DCSCXTJOXBUFGB-JGVFFNPUSA-N
- CAS Registry Number: 18309-32-5
- 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. - Stereoisomers:
- Other names: Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R)-; 2-Pinen-4-one, (1R,5R)-(+)-; (+)-Verbenone; Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R-cis)-; Verbenone; Verbenone, (+)-; (1R-cis)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-ene-2-one; Verbenone, (d)-; (1R-cis)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one; Verbinone; (R)-(+)-Verbenone; 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one, (1R-cis)-; 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one, (1R,5R)-; NSC 36846; (1R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
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Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 | 500.7 | K | N/A | Weast and Grasselli, 1989 |
Gas phase ion energetics data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.83 | EI | Bunau, Schade, et al., 1967 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C9H11O+ | 10.8 | CH3 | EI | Bunau, Schade, et al., 1967 |
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 | G. VON BUNAU MAX-PLANCK-INST., MULHEIM-RUHR, GERMANY FRG |
| NIST MS number | 38883 |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZP-5 | 1228. | Füssel, Dötterl, et al., 2007 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 7. min, 6. K/min, 260. C @ 1. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1170. | Touafek, Nacer, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (15min) |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]
Bunau, Schade, et al., 1967
Bunau, G.v.; Schade, G.; Gollnick, K.,
Massenspektrometrische Untersuchungen von Terpenen. I.Monoterpenaldehyde und -ketone,
Z. Anal. Chem., 1967, 227, 173. [all data]
Füssel, Dötterl, et al., 2007
Füssel, U.; Dötterl, S.; Jürgens, A.; Aas, G.,
Inter- and intraspecific variation in floral scent in the genus Salix and its implication for pollination,
J. Chem. Ecol., 2007, 33, 4, 749-765, https://doi.org/10.1007/s10886-007-9257-6
. [all data]
Touafek, Nacer, et al., 2004
Touafek, O.; Nacer, A.; Kabouce, A.; Kabouche, Z.; Bruneau, C.,
Chemical composition of the essential oil of Rosmarinus officinalis cultivated in the Algerian sahara,
Chem. Nat. Compd. (Engl. Transl.), 2004, 40, 1, 28-29, https://doi.org/10.1023/B:CONC.0000025460.78222.69
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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