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12-Crown-4

12-Crown-4 structure

CAS No:
294-93-9
Formula:
C8H16O4
Chemical Name:
12-Crown-4
Synonyms:
1,4,7,10-Tetraoxacyclododecane;Ethylene oxide cyclic tetramer;12-Crown-4;12-Crown-4-ether;12C4;64491-37-8;168081-54-7
Categories:
Specialty Chemicals

Description

clear colorless to slightly yellow liquid after

12-crown-4 is a crown ether that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 have been replaced by oxygen atoms. It is a crown ether and a saturated organic heteromonocyclic parent.

12-Crown-4 Basic Attributes

Molecular Weight：

176.210

Exact Mass：

176.21

EC Number：

206-036-5

UNII：

K6069P2C2A

DSSTox ID：

DTXSID6059780

HScode：

29329995

Characteristics

PSA：

36.92000

XLogP3：

-0.54

Appearance：

clear liquid

Density：

1.0±0.1 g/cm3

Melting Point：

16 °C

Boiling Point：

61-70 °C

Flash Point：

120.1±30.0 °C

Refractive Index：

1.404

Water Solubility：

MISCIBLE

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

0.0269mmHg at 25°C

Toxicity：

LD50 oral in rat: 2830mg/kg

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2810

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S28-S36/37-S45-S36-S26

RTECS Number：

XF0550000

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P260, P264, P271, P280, P284, P304+P340, P305+P351+P338, P310, P320, P337+P313, P403+P233, P405, P501

Hazard Statements：

H319

Drug Information

MeSH Entry Terms：

12-crown-4

12-Crown-4 Use and Manufacturing

Uses

An aprotic "solvent" for alkali metals, the sodium solution is a strong reducing agent

Manufacturing Info：

1,4,7,10-Tetraoxacyclododecane: ACTIVE

Computed Properties

Molecular Weight:176.21
Hydrogen Bond Acceptor Count:4
Exact Mass:176.10485899
Monoisotopic Mass:176.10485899
Topological Polar Surface Area:36.9
Heavy Atom Count:12
Complexity:65.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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