2-Pentanone, 4-hydroxy-4-methyl-
- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChIKey: SWXVUIWOUIDPGS-UHFFFAOYSA-N
- CAS Registry Number: 123-42-2
- 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: Acetonyldimethylcarbinol; Diacetone alcohol; Diketone alcohol; Tyranton; 4-Hydroxy-4-methylpentan-2-one; (CH3)2C(OH)CH2C(O)CH3; 4-Hydroxy-4-methyl-2-pentanone; 2-Methyl-2-pentanol-4-one; 4-Methyl-2-pentanon-4-ol; Pyranton A; Diacetonalcohol; Diacetonalcool; Diacetonalkohol; Diacetone-alcool; 4-Hydroxy-2-keto-4-methylpentane; 4-Hydroxy-4-methyl-pentan-2-on; 4-Idrossi-4-metil-pentan-2-one; Diacetone; 4-Hydroxy-4-methylpentanone-2; Pyranton; UN 1148; 2-Hydroxy-2-methyl-4-pentanone; 4-Methyl-4-hydroxy-2-pentanone; Pyraton; NSC 9005; 4-hydroxy-4-methyl-pentanone; 4-Methyl-4-hydroxypentan-2-one
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Gas phase ion energetics data
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 822.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 791.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C3H6O+ | 9.60 ± 0.03 | (CH3)2CO? | PI | Shigorin, Filyugina, et al., 1967 | RDSH |
C3H7O+ | 9.71 | CH3COCH2? | PI | Shigorin, Filyugina, et al., 1967 | RDSH |
C5H9O2+ | 9.50 ± 0.07 | CH3 | PI | Shigorin, Filyugina, et al., 1967 | RDSH |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Shigorin, Filyugina, et al., 1967
Shigorin, D.N.; Filyugina, A.D.; Potapov, V.K.,
Role of intramolecular hydrogen bonding in the ionisation and dissociation of compounds,
Zh. Fiz. Khim., 1967, 41, 2336, In original 1255. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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