CAS No.25991-27-9,3-CARBOMETHOXY-2-PYRONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25991-27-9
Name:	3-CARBOMETHOXY-2-PYRONE
Article Data:	3

Formula:	C₇H₆O₄
Molecular Weight:	154.122
Synonyms:	2-Oxo-2H-pyran-3-carboxylicacid methyl ester;3-(Methoxycarbonyl)-2-pyrone;3-Carbomethoxy-2-pyrone;Methyl 2-oxo-2H-pyran-3-carboxylate;Methyl 2-pyrone-3-carboxylate;
EINECS:	247-397-9
Density:	1.326 g/cm³
Melting Point:	75-77 °C(lit.)
Boiling Point:	354.4 °C at 760 mmHg
Flash Point:	158.7 °C
Appearance:	Light yellow crystalline solid
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	22-24/25
PSA:	56.51000
LogP:	0.42640

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Specification

The CAS register number of 2H-Pyran-3-carboxylicacid, 2-oxo-, methyl ester is 25991-27-9. It also can be called as 3-Carbomethoxy-2-pyrone and the IUPAC name about this chemical is methyl 2-oxopyran-3-carboxylate. The molecular formula about this chemical is C₇H₆O₄ and the molecular weight is 154.12. It belongs to the following product category which includes API intermediates.

Physical properties about 2H-Pyran-3-carboxylicacid, 2-oxo-, methyl ester are: (1)ACD/LogP: -0.66; (2)ACD/LogD (pH 5.5): -0.66; (3)ACD/LogD (pH 7.4): -0.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.41; (7)ACD/KOC (pH 7.4): 10.41; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.6 Å²; (11)Index of Refraction: 1.513; (12)Molar Refractivity: 34.94 cm³; (13)Molar Volume: 116.1 cm³; (14)Polarizability: 13.85x10^-24cm³; (15)Surface Tension: 46.4 dyne/cm; (16)Density: 1.326 g/cm³; (17)Flash Point: 158.7 °C; (18)Enthalpy of Vaporization: 59.94 kJ/mol; (19)Boiling Point: 354.4 °C at 760 mmHg; (20)Vapour Pressure: 3.37E-05 mmHg at 25 °C.

Uses of 2H-Pyran-3-carboxylicacid, 2-oxo-, methyl ester: it can be used to produce C₁₄H₁₀O₈ with maleic acid anhydride. This reaction will need solvent of 1,3,5-trimethyl-benzene. The reaction time is 4 hours with reaction temperature of 160 °C. The yield is about 37%.

2H-Pyran-3-carboxylicacid, 2-oxo-, methyl ester can be used to produce C14H10O8 with maleic acid anhydride.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it may cause damage to health. If you want to use it, do not breathe dust and avoid contact with skin and eyes. This material may have harm to the environment, specially the water body should be given attention. If you want to store it, you should keep the container tightly sealed in dry, cool places and if you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)\C1=C\C=C/OC1=O
(2)InChI: InChI=1/C7H6O4/c1-10-6(8)5-3-2-4-11-7(5)9/h2-4H,1H3
(3)InChIKey: GJVZWOMUTYNUCE-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H6O4/c1-10-6(8)5-3-2-4-11-7(5)9/h2-4H,1H3
(5)Std. InChIKey: GJVZWOMUTYNUCE-UHFFFAOYSA-N