ChemicalBook--->CAS DataBase List--->16069-36-6

16069-36-6

16069-36-6 Structure

16069-36-6 Structure
IdentificationMore
[Name]

Dicyclohexano-18-crown-6
[CAS]

16069-36-6
[Synonyms]

2,3,11,12-DICYCLOHEXANO-1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE
2,5,8,15,18,21-HEXAOXATRICYCLO[20.4.0.0(9.14)]HEXACOSANE
CIS-DICYCLOHEXANO-18-CROWN-6
CIS-DICYCLOHEXANO-18-CROWN-6, CIS-ANTI-CIS ISOMER
CIS-DICYCLOHEXANO-18-CROWN-6, CIS-SYN-CIS ISOMER
CIS-DICYCLOHEXYL-18-CROWN-6
CROWN ETHER/DICYCLOHEXYL-18-CROWN-6
DICYCLOHEXANO-18-CROWN-6
DICYCLOHEXANO-18-CROWN 6-ETHER
DICYCLOHEXYL-18-CROWN-6
DICYCLOHEXYL-18-CROWN-6-ETHER
EICOSAHYDRODIBENZO[B,K][1,4,7,10,13,16]HEXAOXACYCLOOCTADECIN
PERHYDRO-DIBENZO-18-CROWN-6
2,5,8,15,18,21-hexaoxatricyclo(20.4.0.0(sup9,14))hexacosane
d2-06
Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, eicosahydro-
Dicyclohexo-18-crown-6
Eicosahydro-5,8,11,16,19,22-hexaoxadibenzo[a,j]cyclooctadecene
Icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine
k)(1,4,7,10,13,16)hexaoxacyclooctadecin,eicosahydro-dibenzo(
[EINECS(EC#)]

240-216-4
[Molecular Formula]

C20H36O6
[MDL Number]

MFCD00005099
[Molecular Weight]

372.5
[MOL File]

16069-36-6.mol
Chemical PropertiesBack Directory
[Appearance]

White solid
[Melting point ]

47-50 °C
[Boiling point ]

344°C
[density ]

1.102 g/cm
[refractive index ]

1.4909
[Fp ]

113 °C
[storage temp. ]

2-8°C
[form ]

Crystalline Solid
[color ]

White to slightly beige
[Water Solubility ]

Slightly soluble
[Sensitive ]

Hygroscopic
[Merck ]

14,2602
[BRN ]

1130529
[InChI]

1S/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2
[InChIKey]

BBGKDYHZQOSNMU-UHFFFAOYSA-N
[SMILES]

C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1
[CAS DataBase Reference]

16069-36-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Dicyclohexano-18-crown-6(16069-36-6)
[EPA Substance Registry System]

16069-36-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H319
[Precautionary statements ]

P301+P310+P330-P305+P351+P338
[Hazard Codes ]

T,Xn
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

HP5385000
[F ]

3-9
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29329995
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
[Safety Profile]

Poison by ingestion, skin contact, and intraperitoneal routes. An experimental teratogen. An eye and skin irritant. When heated to decomposition it emits acrid smoke and fumes.
[Toxicity]

LD50 orally in Rabbit: 176 mg/kg
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Perhydrodibenzo-18-crown-6(16069-36-6).msds
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

Anion activator, and complexing agent which solubilizes alkali metal ions in non-polar solvents.
[Uses]

Dicyclohexano is used as an anion activator and complexing agent which solubilizes alkali metal ions in non-polar solvents. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs etc,.
[Purification Methods]

Purify it by chromatography on neutral alumina and eluting with an ether/hexane mixture [see Izatt et al. Inorg Chem 14 3132 1975]. Dissolve it in ether at ca 40o, and spectroscopic grade MeCN is added to the solution, which is then chilled. The crown ether precipitates and is filtered off. It is dried in vacuo at room temperature [Wallace J Phys Chem 89 1357 1985]. [V.gtle ed. Top Corr Chem (Host Guest Complex Chemistry) 98 1981.] SKIN IRRITANT.
Spectrum DetailBack Directory
[Spectrum Detail]

Dicyclohexano-18-crown-6(16069-36-6)MS
Dicyclohexano-18-crown-6(16069-36-6)1HNMR
Dicyclohexano-18-crown-6(16069-36-6)IR1
Dicyclohexano-18-crown-6(16069-36-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

cis-Dicyclohexano-18-crown-6, cis-syn-cis isomer, 98+%(16069-36-6)
[Alfa Aesar]

Dicyclohexano-18-crown-6, mixture of isomers, 97%(16069-36-6)
[Sigma Aldrich]

16069-36-6(sigmaaldrich)
[TCI AMERICA]

Dicyclohexano-18-crown 6-Ether,>98.0%(GC)(16069-36-6)
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