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Oxepane

Oxepane structure

CAS No:
592-90-5
Formula:
C6H12O
Chemical Name:
Oxepane
Synonyms:
Oxepane;Hexamethylene oxide;Hexane,1,6-epoxy-;Oxacycloheptane;Oxepin,hexahydro-;Hexahydrooxepin
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

ChEBI: A saturated organic heteromonocyclic parent that is cycloheptane in which one of the methylene groups is replaced by oxygen.

Oxepane is a saturated organic heteromonocyclic parent that is cycloheptane in which one of the methylene groups is replaced by oxygen. It is a saturated organic heteromonocyclic parent and a cyclic ether.

Oxepane Basic Attributes

Molecular Weight：

100.16

Exact Mass：

100.16

BRN：

102493

EC Number：

209-777-2

DSSTox ID：

DTXSID1060471

HScode：

2932999099

Characteristics

PSA：

9.2

XLogP3：

1.57700

Density：

1.4393 g/cm³ @ Temp: 20 °C

Boiling Point：

119 °C

Flash Point：

10°C

Refractive Index：

1.439

OH：

1.54e-11 cm3/molecule*sec

Safety Information

Packing level：

Hazard category：

Transport codes：

3271

hazard class code：

safety instructions：

7/9-16-33

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory.

Oxepane Use and Manufacturing

Manufacturing Info：

Oxepane: ACTIVE

Computed Properties

Molecular Weight:100.16
XLogP3:1.3
Hydrogen Bond Acceptor Count:1
Exact Mass:100.088815002
Monoisotopic Mass:100.088815002
Topological Polar Surface Area:9.2
Heavy Atom Count:7
Complexity:37.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes