CAS No.6581-66-4,2-METHOXYTETRAHYDROPYRAN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6581-66-4
Name:	2-METHOXYTETRAHYDROPYRAN
Article Data:	46

Formula:	C₆H₁₂O₂
Molecular Weight:	116.16
Synonyms:	Pyran,tetrahydro-2-methoxy- (6CI,7CI);2-Methoxytetrahydropyran;Tetrahydro-2-methoxy-2H-pyran;Tetrahydro-2-methoxypyran;
EINECS:	229-509-8
Density:	0.94 g/cm³
Boiling Point:	128.5 °C at 760 mmHg
Flash Point:	25 °C
Hazard Symbols:	F
Risk Codes:	10
Safety:	16-29-33
Transport Information:	UN 1993 3/PG 3
PSA:	18.46000
LogP:	1.15940

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Specification

The CAS register number of 2H-Pyran,tetrahydro-2-methoxy- is 6581-66-4. It also can be called as Tetrahydro-2-methoxypyran and the IUPAC name about this chemical is 2-methoxyoxane. The molecular formula about this chemical is C₆H₁₂O₂ and the molecular weight is 116.16. It belongs to the following product categories which include Building Blocks; Heterocyclic Building Blocks; Pyrans and so on.

Physical properties about 2H-Pyran,tetrahydro-2-methoxy- are: (1)ACD/LogP: 0.16; (2)ACD/LogD (pH 5.5): 0.16; (3)ACD/LogD (pH 7.4): 0.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.15; (7)ACD/KOC (pH 7.4): 29.15; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 18.46 Å²; (11)Index of Refraction: 1.424; (12)Molar Refractivity: 31.23 cm³; (13)Molar Volume: 122.2 cm³; (14)Polarizability: 12.38x10^-24cm³; (15)Surface Tension: 27.2 dyne/cm; (16)Density: 0.94 g/cm³; (17)Flash Point: 25 °C; (18)Enthalpy of Vaporization: 35.11 kJ/mol; (19)Boiling Point: 128.5 °C at 760 mmHg; (20)Vapour Pressure: 12.9 mmHg at 25 °C.

Preparation: this chemical can be prepared by methanol and tetrahydropyran. This reaction will need reagents of tris (2,4-dibromophenyl)amine, LiClO₄, NaOMe. This reaction needs electrochem. oxidation. The reaction temperature is 40 °C. The yield is about 7.2%.

2H-Pyran,tetrahydro-2-methoxy- can be prepared by methanol and tetrahydropyran.

Uses of 2H-Pyran,tetrahydro-2-methoxy-: it can be used to produce 2-allyl-tetrahydro-pyran with allyl-trimethyl-silane. This reaction will need reagent of trimethylsilyl trifluoromethanesulfonate and solvent of CH₂Cl₂. The reaction time is 0.2 hour with reaction temperature of -50 °C.

2H-Pyran,tetrahydro-2-methoxy- can be used to produce 2-allyl-tetrahydro-pyran with allyl-trimethyl-silane.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. If you want to use it, keep away from sources of ignition and do not empty into drains. When you are using it, drainstake precautionary measures against static discharges. This chemical may catch fire if in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide, light, high temperature and acids.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C1OCCCC1
(2)InChI: InChI=1/C6H12O2/c1-7-6-4-2-3-5-8-6/h6H,2-5H2,1H3
(3)InChIKey: XTDKZSUYCXHXJM-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H12O2/c1-7-6-4-2-3-5-8-6/h6H,2-5H2,1H3
(5)Std. InChIKey: XTDKZSUYCXHXJM-UHFFFAOYSA-N

The toxicity data are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1500mg/kg (1500mg/kg)		Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.
mouse	LD50	oral	2870mg/kg (2870mg/kg)		Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.