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ChemicalBook--->CAS DataBase List--->17455-13-9

17455-13-9

17455-13-9 Structure

17455-13-9 Structure
IdentificationMore
[Name]

18-Crown-6
[CAS]

17455-13-9
[Synonyms]

1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE
18-CROWN-6
18-CROWN 6-ETHER
AKOS BBS-00004361
CROWN-18-5-ETHER
CROWN ETHER/18-CROWN-6
HEXAOXACYCLOOCTADECANE
Ethylene oxide cyclic hexamer
18-CROWN-6, 99.5+%
18-CROWN-6(1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE)
18-Crown-6, 98+%
1,4,7,10,13,16-HEXOXA-CYCLO-OCTADECANE
18-Crown-6,99%
1,4,7,10,13,16-Hexanoxacyclooctadecane.
18-Crown-6-ether 99%
1,4,7,10,13,16-Hexaoxacyclooctadecane (18-Crown-6)
18-CROWN-6 99.8%
Crown/18-crown-6
18-CROWN-6-ETHER pure
1,4,7,10,13,16-Hexaoxacyclooctadecane, Hexaoxacyclooctadecane
[EINECS(EC#)]

241-473-5
[Molecular Formula]

C12H24O6
[MDL Number]

MFCD00005113
[Molecular Weight]

264.32
[MOL File]

17455-13-9.mol
Chemical PropertiesBack Directory
[Appearance]

slightly yellow solid
[Melting point ]

42-45 °C(lit.)
[Boiling point ]

116°C 0,2mm
[density ]

1,175 g/cm3
[refractive index ]

1.4580 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Store at 0-5°C
[solubility ]

Chloroform (Slightly), Methanol (Very Slightly)
[form ]

Crystals or Crystalline Mass or Liquid
[color ]

White or clear colorless
[Stability:]

Stable. Incompatible with strong acids, strong oxidizing agents.
[Water Solubility ]

SOLUBLE
[Sensitive ]

Hygroscopic
[Detection Methods]

GC,NMR,MS
[Merck ]

14,2602
[BRN ]

1619616
[InChIKey]

XEZNGIUYQVAUSS-UHFFFAOYSA-N
[CAS DataBase Reference]

17455-13-9(CAS DataBase Reference)
[NIST Chemistry Reference]

1,4,7,10,13,16-Hexaoxacyclooctadecane(17455-13-9)
[Storage Precautions]

Store under nitrogen
[EPA Substance Registry System]

17455-13-9(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R36:Irritating to the eyes.
R20/22:Harmful by inhalation and if swallowed .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S39:Wear eye/face protection .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

MP4500000
[F ]

10
[TSCA ]

Yes
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29329995
[Toxicity]

LD50 orally in Rabbit: 525 mg/kg LD50 dermal Rabbit 3888 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

POTASSIUM CYANIDE-->Alkali Metals, plasma standard solution, Specpure, Ba,Be,Ca,Cs,K,Li,Mg,Na,Rb,Sr, 100μg/ml-->15-Crown-5-->GLOBULINS, CAT GAMMA
[Preparation Products]

1,1'-DIMETHYLFERROCENE-->N,N-Dimethylethylenediamine-->5-bromo-1H-indazole-->3-PHENOXYPHENYLACETONITRILE-->1,3-THIAZOLIDIN-2-ONE-->Cefpodoxime proxetil-->1,2-EPOXYCYCLODODECANE-->2,4-DIAMINO-6-FLUOROPYRIMIDINE-->[(2-OXO-2H-CHROMEN-7-YL)OXY]ACETIC ACID-->3-AMINO-2-FLUORO-4-PICOLINE-->5-AMINOMETHYL-PYRROLIDIN-2-ONE-->2-AMINO-4,6-DIFLUOROPYRIMIDINE-->2-(4-BROMOPHENYL)THIOPHENE-->4-AMINO-2,6-DIFLUOROPYRIMIDINE-->N,N,N',N'-Tetraphenylbenzidine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Hexaoxacyclo-octadecane(17455-13-9).msds
Hazard InformationBack Directory
[Chemical Properties]

slightly yellow solid
[Uses]

A useful phase transfer catalyst.
[Definition]

ChEBI: 18-crown-6 is a crown ether that is cyclooctadecane in which the carbon atoms at positions 1, 4, 7, 10, 13 and 16 have been replaced by oxygen atoms. It has a role as a phase-transfer catalyst. It is a crown ether and a saturated organic heteromonocyclic parent.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 39, p. 2445, 1974 DOI: 10.1021/jo00930a037
[General Description]

18-Crown-6 is the simplest crown ether that can be prepared by reacting triethylene glycol with triethylene glycol dichloride in the presence of potassium hydroxide as a base. 18-Crown-6 can solubilize metal salts, particularly potassium salts, in nonpolar and dipolar aprotic solvents. Thus, it is widely used as a phase transfer catalyst. It can also be used as a metal complexing agent to prepare a variety of molecular complexes.
[Purification Methods]

Recrystallise it from acetonitrile and dry it in a vacuum. Purify it also by precipitating the 18-crown-6/nitromethane 1:2 complex with Et2O/nitromethane (10:1 mixture). The complex is decomposed in vacuum whereby 18-crown-6 distils off under the reduced pressure. [Beilstein 19/12 V 601.]
Spectrum DetailBack Directory
[Spectrum Detail]

18-Crown-6(17455-13-9)MS
18-Crown-6(17455-13-9)1HNMR
18-Crown-6(17455-13-9)13CNMR
18-Crown-6(17455-13-9)IR1
18-Crown-6(17455-13-9)IR2
18-Crown-6(17455-13-9)Raman
18-Crown-6(17455-13-9)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

18-Crown-6, 99%(17455-13-9)
[Alfa Aesar]

18-Crown-6, 99%(17455-13-9)
[Sigma Aldrich]

17455-13-9(sigmaaldrich)
[TCI AMERICA]

18-Crown 6-Ether,>98.0%(GC)(17455-13-9)
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