Chemical Properties of Ethyl maltol (CAS 4940-11-8)

InChI

InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3

InChI Key

YIKYNHJUKRTCJL-UHFFFAOYSA-N

Formula

C7H8O3

SMILES

CCc1occc(=O)c1O

Molecular Weight¹

140.14

CAS

4940-11-8

Other Names

• 2-Ethyl-3-hydroxy-4-pyrone
• 2-Ethylpyromeconic acid
• 2-ethyl-3-hydroxy-4H-pyran-4-one
• 3-Hydroxy-2-ethyl-1,4-pyrone
• 3-Hydroxy-2-ethyl-4-pyrone
• 3-Hydroxy-2-ethyl-4H-pyran-4-one
• 3-Hydroxy-2-ethyl-«gamma»-pyrone
• 4H-pyran-4-one, 2-ethyl-3-hydroxy-
• Veltol plus

• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-0.89		Aq. Solubility Prediction
logPoct/wat	0.908		Crippen Calculated Property
McVol	103.340	ml/mol	McGowan Calculated Property
Inp	[1193.00; 1199.00]
Inp	1193.00		NIST
Inp	1199.00		NIST
Inp	1199.00		NIST
Inp	1193.00		NIST
I	[2050.00; 2052.00]
I	2050.00		NIST
I	2052.00		NIST
I	2052.00		NIST
I	2050.00		NIST
I	2050.00		NIST
Tfus	364.17	K	Solubility of Ethyl Maltol in Aqueous Ethanol Mixtures

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Ethyl maltol.

Mixtures

• Ethyl maltol + Water
• Ethanol + Ethyl maltol + Water

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• When theory and experiment hold hands: The thermochemistry of gamma-pyrone derivatives
• Solubility of Ethyl Maltol in Aqueous Ethanol Mixtures
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.