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12-CROWN-4 | |||
PRODUCT IDENTIFICATION | |||
CAS NO. | 294-93-9 |
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EINECS NO. | 206-036-5 | ||
FORMULA | C8H16O4 | ||
MOL WT. | 176.21 | ||
H.S. CODE |
2932.99.0090 | ||
TOXICITY |
Oral rat LD50: 2830 mg/kg | ||
SYNONYMS | 1,4,7,10-Tetraoxacyclododecane; 12-Crown-4 ether; EOCT; | ||
Cyclic tetramer of ethylene oxide; EOCT; Ethylene oxide cyclic tetramer; | |||
SMILES | C1COCCOCCOCCO1 | ||
CLASSIFICATION |
Crown ether, Host-Guest Chemistry | ||
EXTRANOTES |
Other RN: 64491-37-8, 168081-54-7 | ||
PHYSICAL AND CHEMICAL PROPERTIES | |||
PHYSICAL STATE | Clear liquid | ||
MELTING POINT | 16 C | ||
BOILING POINT | 238 C | ||
SPECIFIC GRAVITY | 1.089 | ||
SOLUBILITY IN WATER | miscible | ||
pH | |||
VAPOR DENSITY |
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AUTOIGNITION |
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pKa | (Dissociation Constant at 20 C) | ||
log Pow | -0.04 (Octanol-water) | ||
VAPOR PRESSURE | 0.045 (mmHg at 25 C) | ||
HENRY'S LAW | 1.43E-09 (atm-m3/mole at 25 C) | ||
OH RATE | 5.61E-11 (cm3/molecule-sec at 25 C Atmospheric) | ||
NFPA RATINGS |
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REFRACTIVE INDEX |
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FLASH POINT |
110 C | ||
STABILITY | Stable under ordinary conditions. Light sensitive. Hygroscopic | ||
GENERAL DESCRIPTION & EXTERNAL LINKS |
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Crown Ether is a
macrocyclic polyether whose structure contains hydrogen, carbon and oxygen
atoms. Each oxygen atoms are confined between two carbon atoms and exhibits a
conformation with a hole (accordingly called "crown"). The common names of Crown
Ethers have a prefix to designate the total number of atoms in the cycle and a
suffix to designate the number of oxygen atoms in the cycle. For example,
15-crown-5 is composed of 15 atoms in the cycle, 5 of which are O and 10 of
which are C.
As an ether, crown ethers are soluble in non-polar solvents. They are capable of strong solvency binding cations in their central cavity. The exterior of the ring is hydrophobic. The size of the interior central cavity, fused ring system, and side chains and functional groups determine the solvency capacity of the cation and the power of hydrophobic. The main characteristic of crown ether is the complexation of the ether oxygens with various ionic species. If metalic elements pass through the center of the hole, they stick to oxygen atoms. The crown compound is then termed "host-guest" chemistry; Crown Ether acts as the "host" taking ionic species as its "guest". Crown compounds locks guest atoms in a solution and wrap around it. Crown ethers are used in PTC (phase-transfer catalysts) system and in encouraging the solubility of inorganic compounds in organic solvents to promote chemical reaction. 'Host-Guest' chemistry of crown ethers can be a key to identify the move of essential elements in the body and can play the part of very complicated biological reactions such as enzyme's functions, which can be applied to develop new pharmaceuticals. Other compounds that have host cavity include cyclodextrins, calixarenes, cucurbiturils and porphyrins.. Cyclen (1,4,7,10-tetraazacyclododecane) is the aza analogues of crown ethers with repeating (-CH2CH2N) units. Cyclam is 1,4,8,11-Tetraazacyclotetradecane with repeating (-CH2CH2CH2N) units. They are starting materials to produce macrocyclic polyamine metal-complexing agents. They coordinate more than one metal ions in their central cavity. They are used as a ligand in chemistry for the applications of diagnostic imaging technique to identify medical condition or disease and for the development of medication as a therapeutic agent and pharmaceutic aid. Wikipedia Linking: http://en.wikipedia.org/wiki/Crown_ether http://www.org-chem.org/
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SALES SPECIFICATION | |||
APPEARANCE |
clear liquid | ||
ASSAY |
98.0% min | ||
COLOR, APHA | 20 max | ||
TRANSPORTATION | |||
PACKING |
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HAZARD CLASS | |||
UN NO. | |||
SAFETY INFORMATION | |||
Hazard Symbols: T, Risk Phrases: 23/24/25, Safety Phrases: 24/25 | |||
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