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343455

2-Methoxytetrahydropyran

Name: 2-Methoxytetrahydropyran
Brand: ALDRICH

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About This Item

Empirical Formula (Hill Notation):

C₆H₁₂O₂

CAS Number:

6581-66-4

Molecular Weight:

116.16

NACRES:

NA.22

PubChem Substance ID:

24861164

UNSPSC Code:

12352100

EC Number:

229-509-8

MDL number:

MFCD00075264

Assay:

98%

Form:

liquid

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Properties

Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.425 (lit.)

bp

128-129 °C (lit.)

density

0.963 g/mL at 25 °C (lit.)

functional group

ether

SMILES string

COC1CCCCO1

InChI

1S/C6H12O2/c1-7-6-4-2-3-5-8-6/h6H,2-5H2,1H3

InChI key

XTDKZSUYCXHXJM-UHFFFAOYSA-N

Description

General description

2-Methoxytetrahydropyran is methoxy-substituted tetrahydropyran. α- and β-glycosidic C1-O1 bonds of the axial and equatorial forms of 2-methoxytetrahydropyran has been investigated by ab initio conformational study. Stereochemical properties of the glycosidic linkage of 2-methoxytetrahydropyran have been studied by the quantum-chemical PCILO method. It undergoes elimination reaction in the gas phase to yield 3, 4-dihydro-2H-pyran and methanol. Proton resonance spectra of 2-methoxytetrahydropyran has been analyzed.

pictograms

GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

77.0 °F - closed cup

flash_point_c

25 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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Proton chemical shifts in NMR. Part 12. 1 Steric, electric field and conformational effects in acyclic and cyclic ethers.

Abraham RJ and Warne MA.

J. Chem. Soc. Perkin Trans. II, 8, 1751-1758 (1998)

On the generalized valence bond description of the anomeric and exo-anomeric effects: an ab initio conformational study of 2-methoxytetrahydropyran.

Rodrigo S Bitzer et al.

Carbohydrate research, 340(13), 2171-2184 (2005-08-02)

An ab initio conformational study of the alpha- and beta-glycosidic C1-O1 bonds has been carried out on the axial and equatorial forms of 2-methoxytetrahydropyran (2-MTHP) at the HF/6-31G(d,p) and GVB-PP/6-31G(d,p) levels of calculation. Six conformers of 2-MTHP were fully optimized

The conformational properties of the glycosidic linkage.

Tvaroska I and Kozar T.

Carbohydrate Research, 90(2), 173-185 (1981)

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Global Trade Item Number

SKU	GTIN
343455-25G	04061838119407
343455-5G	04061838090393