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343455

Sigma-Aldrich

2-Methoxytetrahydropyran

98%

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About This Item

Empirical Formula (Hill Notation):
C6H12O2
CAS Number:
6581-66-4
Molecular Weight:
116.16
EC Number:
229-509-8
MDL number:
MFCD00075264
UNSPSC Code:
12352100
PubChem Substance ID:
24861164
NACRES:
NA.22

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.)

SMILES string

COC1CCCCO1

InChI

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

InChI key

XTDKZSUYCXHXJM-UHFFFAOYSA-N

Related Categories

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

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

77.0 °F - closed cup

Flash Point(C)

25 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

343455-VAR:
343455-25G:
343455-BULK:
343455-5G:

Certificates of Analysis (COA)

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Combined experimental and theoretical studies of the elimination kinetic of 2-methoxytetrahydropyran in the gas phase.
Rosas F, et al.
Journal of Physical Organic Chemistry, 23(12), 1127-1136 (2010)
The conformational properties of the glycosidic linkage.
Tvaroska I and Kozar T.
Carbohydrate Research, 90(2), 173-185 (1981)
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)
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

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