4H-Pyran-4-one,3-hydroxy-2-methyl-

The Maltol, with the CAS registry number 118-71-8 and EINECS registry number 204-271-8, has the systematic name of 3-hydroxy-2-methyl-4H-pyran-4-one. It is a kind of white crystalline powder, and belongs to following the proudct categories: Food & Feed Additives; Heterocycles; Food & Flavor Additives. It can be found in the bark of larch tree, in pine needles, and in roasted malt and so on. It is soluble in hot water, chloroform, and other polar solvents. And the molecular formula of this chemical is C₆H₆O₃.

The physical properties of Maltol are as followings: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.029; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.982; (8)ACD/KOC (pH 7.4): 23.677; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 30.292 cm³; (15)Molar Volume: 93.546 cm³; (16)Polarizability: 12.009×10^-24cm³; (17)Surface Tension: 51.792 dyne/cm; (18)Density: 1.348 g/cm³; (19)Flash Point: 127.32 °C; (20)Enthalpy of Vaporization: 60.778 kJ/mol; (21)Boiling Point: 284.7 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

There're 3 methods to prepare Maltol: (1) It can be extracted from natural products, because it is a naturally occurring organic compound; (2)It can be prepared by pyromucic aldehyde; (3)Semi-synthesis: It can be prepared by kojic acid, and after a series of oxidation, decarboxylation, formaldehyde reaction, reduction, distillation and recrystallization, you can get the product.

Uses of Maltol: It is usually used as a flavor enhancer. It is also used to impart a sweet aroma to fragrances because of its odor of cotton candy and caramel.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(c(=O)cco1)O
(2)InChI: InChI=1/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3
(3)InChIKey: XPCTZQVDEJYUGT-UHFFFAOYAH

The toxicity data is as follows: