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283061

Sigma-Aldrich

1,3-Dioxane

97%

Synonym(s):

Formaldehyde trimethylene acetal

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About This Item

Empirical Formula (Hill Notation):
C4H8O2
CAS Number:
505-22-6
Molecular Weight:
88.11
Beilstein:
102532
EC Number:
208-005-1
MDL number:
MFCD00006566
UNSPSC Code:
12352100
PubChem Substance ID:
24856860
NACRES:
NA.22

Quality Level

200

Assay

97%

form

liquid

impurities

<3% 1,3,5-trioxane

refractive index

n20/D 1.418 (lit.)

bp

105-106 °C (lit.)

mp

−45 °C (lit.)

density

1.032 g/mL at 25 °C (lit.)

SMILES string

C1COCOC1

InChI

1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2

InChI key

VDFVNEFVBPFDSB-UHFFFAOYSA-N

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General description

The reactivity of molybdenum pentachloride with1,3-dioxane has been investigated at room temperature in a non-coordinating solvent (dichloromethane).

Application

1,3-Dioxane has been employed as solvent in the synthesis of 8- and 9-membered dioxazocines and dioxazonines.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

41.0 °F - closed cup

Flash Point(C)

5 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Sigma-Aldrich

34857

1,4-Dioxane

Florian Medina et al.
Organic letters, 16(12), 3232-3235 (2014-06-03)
Eight- and 9-membered dioxazocines and dioxazonines are readily synthesized starting from N-sulfonyl-1,2,3-triazoles in a single-step procedure. A perfect regioselectivity and generally good yields (up to 92%) are obtained under dirhodium catalysis using 1,3-dioxolane and 1,3-dioxane as solvents and reagents.
Mei Sun et al.
Environmental science & technology, 50(5), 2246-2254 (2016-02-02)
Recent U.S. Environmental Protection Agency data show that 1,4-dioxane is frequently detected in U.S. drinking water derived from both groundwater and surface water. 1,4-Dioxane is a likely human carcinogen, and an excess 10(-6) cancer risk is associated with a drinking
Fabio Marchetti et al.
Dalton transactions (Cambridge, England : 2003), 42(42), 15226-15234 (2013-09-06)
The reactivity of molybdenum pentachloride, 1, with a selection of mono- and diethers was investigated at room temperature in a non-coordinating solvent (dichloromethane). The Mo(IV) complex MoCl4(OMe2)2, 2, was obtained in 75% yield by the reaction of 1 with an

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