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CAS No.: | 14098-24-9 |
---|---|
Name: | Benzo-18-crown-6 |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C16H24O6 |
Molecular Weight: | 312.363 |
Synonyms: | 18-Benzo-6-crownether;2,3-Benzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2-ene;2,3-Benzo-18-crown-6;Benzo18C6;Monobenzo-18-crown-6; |
EINECS: | -0 |
Density: | 1.057 g/cm3 |
Melting Point: | 42-45 °C(lit.) |
Boiling Point: | 451.8 °C at 760 mmHg |
Flash Point: | 186.6 °C |
Appearance: | white granular powder and chunks |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 22-24/25-37/39-26 |
PSA: | 55.38000 |
LogP: | 1.52420 |
18-bromo-2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]Hexaoxacyclotetradecene
2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin
Conditions | Yield |
---|---|
With 4-methyl-morpholine; tetrahydroxydiboron; 5%-palladium/activated carbon In 1,2-dichloro-ethane at 50℃; for 1.5h; | 95% |
o-hydroxyphenyl 3,6,9,12-tetraoxa-14-bromotetradecyl ether
2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin
Conditions | Yield |
---|---|
With tetramethyl ammoniumhydroxide In water; dimethyl sulfoxide at 25℃; | 90.4% |
sodium cation In methanol at 25℃; further catalysts; | |
With tetramethyl ammoniumhydroxide In water; dimethyl sulfoxide at 25℃; Rate constant; other reagent; | 90.4 % Spectr. |
penta(ethylene glycol) bis(p-toluenesulfonate)
benzene-1,2-diol
2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin
Conditions | Yield |
---|---|
With sodium hydroxide; tetra-(n-butyl)ammonium iodide In toluene for 16h; Heating; | 77% |
With sodium hydride In tetrahydrofuran for 7h; Heating; | 40% |
2,2'-(1,2-phenylenedioxy)diethanol
triethylene glycol di-(p-toluenesulfonate)
2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin
Conditions | Yield |
---|---|
With sodium hydroxide; tetra-(n-butyl)ammonium iodide In toluene for 16h; Heating; | 69% |
With potassium tert-butylate 1) THF, RT, 1 h, 2) THF, RT, 24 h; reflux, 48 h; Yield given. Multistep reaction; |
2-[2-(2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}phenoxy)ethoxy]-1-ethanol
2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin
Conditions | Yield |
---|---|
With sodium hydroxide; tetra-(n-butyl)ammonium iodide; p-toluenesulfonyl chloride In toluene at 70 - 75℃; for 13h; | 68% |
1,14-dichloro-3,6,9,12-tetraoxatetradecane
benzene-1,2-diol
2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin
Conditions | Yield |
---|---|
60% |
bis(o-phenylene)glycol ditosylate
2,2'-[1,2-ethanediylbis(oxy)]bisethanol
2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin
Conditions | Yield |
---|---|
With sodium hydroxide; tetra-(n-butyl)ammonium iodide In toluene for 16h; Heating; | 8% |
benzene-1,2-diol
pentaethylene glycol dimesylate
2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin
Conditions | Yield |
---|---|
Yield given. Multistep reaction; |
2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin
Conditions | Yield |
---|---|
In methanol at 25℃; Equilibrium constant; |
2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin
Conditions | Yield |
---|---|
In methanol at 25℃; Equilibrium constant; |
IUPAC Name: 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene
Empirical Formula: C16H24O6
Molecular Weight: 312.3582g/mol
Structure of 1,4,7,10,13,16-Benzohexaoxacyclooctadecin,2,3,5,6,8,9,11,12,14,15-decahydro- (CAS NO.14098-24-9):
Index of Refraction: 1.456
Molar Refractivity: 80.34 cm3
Molar Volume: 295.3 cm3
Polarizability: 31.84×10-24cm3
Surface Tension: 35.5 dyne/cm
Density: 1.057 g/cm3
Flash Point: 186.6 °C
Enthalpy of Vaporization: 68.36 kJ/mol
Melting Point: 42-45 °C(lit.)
Boiling Point: 451.8 °C at 760 mmHg
Vapour Pressure: 6.31E-08 mmHg at 25°C
Physical Appearance: white granular powder and chunks
Product Categories: Crown Ethers;Functional Materials;Macrocycles for Host-Guest Chemistry;Chelation/Complexation Compounds;Crown Ethers;Synthetic Reagents
Canonical SMILES: C1COCCOCCOC2=CC=CC=C2OCCOCCO1
InChI: InChI=1S/C16H24O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h1-4H,5-14H2
InChIKey: DSFHXKRFDFROER-UHFFFAOYSA-N
Hazard Codes: Xi,Xn
Risk Statements: 36/37/38-20/21/22
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: 22-24/25-37/39-26
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
F: 3
1,4,7,10,13,16-Benzohexaoxacyclooctadecin,2,3,5,6,8,9,11,12,14,15-decahydro- , its cas register number is 928-98-3. It also can be called 2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine .1,4,7,10,13,16-Benzohexaoxacyclooctadecin,2,3,5,6,8,9,11,12,14,15-decahydro- (CAS NO.14098-24-9) is irritating to eyes, respiratory system and skin. And it is harmful by inhalation, in contact with skin and if swallowed.