CAS No.3393-45-1,5,6-DIHYDRO-2H-PYRAN-2-ONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3393-45-1
Name:	5,6-DIHYDRO-2H-PYRAN-2-ONE
Article Data:	1

Formula:	C₅H₆O₂
Molecular Weight:	98.1014
Synonyms:	2-Pentenoicacid, 5-hydroxy-, d-lactone (6CI,7CI);5,6-Dihydro-a-pyrone;d-2-Pentenolide;
EINECS:	-0
Density:	1.12 g/cm³
Boiling Point:	233.723 °C at 760 mmHg
Flash Point:	89.106 °C
Hazard Symbols:	R10:Flammable.;
Risk Codes:	10
Safety:	23-24/25
Transport Information:	UN 1224 3/PG 3
PSA:	26.30000
LogP:	0.48950

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Specification

The 2H-Pyran-2-one,5,6-dihydro-, with the CAS registry number 3393-45-1, is also known as 5,6-Dihydro-2-pyranone. It belongs to the product categories of API intermediates; Building Blocks; Heterocyclic Building Blocks; Pyrans. This chemical's molecular formula is C₅H₆O₂ and molecular weight is 98.1. What's more, its systematic name is 5,6-dihydro-2H-pyran-2-one. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.

Physical properties of 2H-Pyran-2-one,5,6-dihydro- are: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 21.62; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 26.3 Å²; (10)Index of Refraction: 1.47; (11)Molar Refractivity: 24.39 cm³; (12)Molar Volume: 87.2 cm³; (13)Surface Tension: 35.9 dyne/cm; (14)Density: 1.123 g/cm³; (15)Flash Point: 89.1 °C; (16)Enthalpy of Vaporization: 47.04 kJ/mol; (17)Boiling Point: 233.7 °C at 760 mmHg; (18)Vapour Pressure: 0.055 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,6-dihydro-2H-pyran at the temperature of 60 - 70 °C. This reaction will need reagent pyridinium chlorochromate and solvent CH₂Cl₂ with the reaction time of 7 hours. The yield is about 70%.

Uses of 2H-Pyran-2-one,5,6-dihydro-: it can be used to produce 2-methoxy-tetrahydro-furan-2-carboxylic acid methyl ester by heating. It will need reagent concentrated sulfuric acid with the reaction time of 17 hours. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
It is flammable. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1OCC/C=C/1
(2)InChI: InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2
(3)InChIKey: QBDAFARLDLCWAT-UHFFFAOYSA-N