CAS No.118-71-8,3-Hydroxy-2-methyl-4H-pyran-4-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	118-71-8
Name:	3-Hydroxy-2-methyl-4H-pyran-4-one
Article Data:	49
Cas Database

Formula:	C₆H₆O₃
Molecular Weight:	126.112
Synonyms:	4H-Pyran-4-one,3-hydroxy-2-methyl-;2-Methyl-3-hydroxy-4-pyranone;2-Methyl-3-hydroxy-4-pyrone;2-Methyl-3-hydroxypyran-4-one;2-Methyl-3-hydroxypyrone;3-Hydroxy-2-methyl-1,4-pyrone;3-Hydroxy-2-methyl-4-pyranone;3-Hydroxy-2-methyl-4H-pyran-4-one;3-Hydroxy-2-methyl-g-pyrone;E 636;Larixic acid;Larixin (plant growth regulator);Larixinic acid;NSC 2829;NSC 404458;Palatone;Veltol;3-Hydroxy-2-methyl-4H-pyran-4-on;Maltol;
EINECS:	204-271-8
Density:	1.348 g/cm³
Melting Point:	160-164 °C(lit.)
Boiling Point:	284.7 °C at 760 mmHg
Flash Point:	127.32 °C
Solubility:	1.2 g/100 mL (25 °C) in water
Appearance:	white crystalline powder
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-37/39
PSA:	50.44000
LogP:	0.65380

Synthetic route

: methyl maltol barium

A: 118-71-8
Maltol

B: barium sulfate

Conditions

Conditions	Yield
With sodium sulfate In water at 26℃; for 3h; Temperature; Time; Concentration;	A 88.5% B 99.8%

: 1198597-46-4
C15H26O3Si

: 118-71-8
Maltol

Conditions

Conditions	Yield
With potassium acetate In water; N,N-dimethyl-formamide at 25℃; for 20h;	92%

: 152547-41-6
3-((tert-butyldimethylsilyl)oxy)-2-methyl-4H-pyran-4-one

: 118-71-8
Maltol

Conditions

Conditions	Yield
With lithium acetate In water; N,N-dimethyl-formamide at 25℃; for 8h; Inert atmosphere;	90%

: C6H8O4

: 118-71-8
Maltol

Conditions

Conditions	Yield
With sodium hydroxide In water at -5 - 30℃; pH=2 - 3;	80.5%

: 4208-64-4
1-(2-furyl)ethanol

: 118-71-8
Maltol

Conditions

Conditions	Yield
With tert-butylhypochlorite In acetic acid 1.) 25 deg C, 2 h, 2.) 90 deg C, 4 h;	75%
With chlorine In methanol; water 1.) -5 deg C; 2.) 90-95 deg C, 3.5 h;	71%
With chlorine In methanol; water at 90 - 95℃; for 3.5h; Rearrangement;	71%

: 63493-69-6
4,6-dimethoxy-2-methyl-2H-pyran-3(6H)-one

: 118-71-8
Maltol

Conditions

Conditions	Yield
With sulfuric acid at 25℃; for 0.333333h;	74%

: 67171-01-1
2-(1-hydroxyethyl)-2,3,5-trimethoxy-2,5-dihydrofuran

: 118-71-8
Maltol

Conditions

Conditions	Yield
With sulfuric acid at 25℃; for 4h;	67%
In sulfuric acid	67%
Multi-step reaction with 2 steps 1: 77 percent / formic acid / methanol / 0.17 h / 20 °C 2: 74 percent / 2M aq. H2SO4 / 0.33 h / 25 °C View Scheme

: 72690-06-3
trans-4-chloro-6-methoxy-2-methyl-2H-pyran-3(6H)-one

: 118-71-8
Maltol

Conditions

Conditions	Yield
With acetic acid for 1.5h; Heating;	66%

: 66212-70-2
4-chloro-6-methoxy-2-methyl-2H-pyran-3(6H)-one

: 118-71-8
Maltol

Conditions

Conditions	Yield
With acetic acid	65%

: 41728-10-3
6-methoxy-2-methyl-2H-pyran-3(6H)-one

: 118-71-8
Maltol

Conditions

Conditions	Yield
With chlorine In acetic acid 1.) 10 deg C, 30 min; 2.) reflux 1.5 h;	56%
With sodium hydroxide; chlorine In water; acetic acid	56%
Multi-step reaction with 2 steps 1: Cl2, triethylamine / CH2Cl2 / 1.) -10 deg C, 30 min; 2.) 10 deg C, 25 min 2: 66 percent / acetic acid / 1.5 h / Heating View Scheme

Raw Materials

Downstream Products

Total:214 Page 1 of 6 1 2 3 4 5 6 Next>>

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Specification

The 3-Hydroxy-2-methyl-4-pyrone, 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 with a fragrant caramel-butterscotch odor, 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.isolated from Passiflora incarnata; possesses depressant properties in mice; potentiates hexobarbital-induced narcosis & inhibits spontaneous motor activity. It is soluble in hot water, chloroform, and other polar solvents. And the molecular formula of this chemical is C₆H₆O₃.

The physical properties of 3-Hydroxy-2-methyl-4-pyrone 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.

Preparation of 3-Hydroxy-2-methyl-4-pyrone:
(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 3-Hydroxy-2-methyl-4-pyrone:
It is a fragrance molecule used in flavor enhancers and fragrances.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.

Safety Information of 3-Hydroxy-2-methyl-4-pyrone:
You should be cautious while dealing with 3-Hydroxy-2-methyl-4-pyrone. 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 of 3-Hydroxy-2-methyl-4-pyrone is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
chicken	LD50	oral	3720mg/kg (3720mg/kg)	Toxicology and Applied Pharmacology. Vol. 15, Pg. 604, 1969.
guinea pig	LD50	oral	1410mg/kg (1410mg/kg)	Dow Chemical Company Reports. Vol. -, Pg. -, 1967.
mouse	LD16	intraperitoneal	1400mg/kg (1400mg/kg)	Russian Pharmacology and Toxicology Vol. 38, Pg. 213, 1975.
mouse	LD50	oral	550mg/kg (550mg/kg)	FAO Nutrition Meetings Report Series. Vol. 44A, Pg. 56, 1967.
mouse	LD50	subcutaneous	820mg/kg (820mg/kg)	Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 1008, 1974.
rabbit	LD	skin	> 5gm/kg (5000mg/kg)	Food and Cosmetics Toxicology. Vol. 13, Pg. 841, 1975.
rabbit	LD50	oral	1620mg/kg (1620mg/kg)	Dow Chemical Company Reports. Vol. -, Pg. -, 1967.
rat	LD50	oral	1410mg/kg (1410mg/kg)	FAO Nutrition Meetings Report Series. Vol. 44A, Pg. 56, 1967.