8050-81-5 Usage
Chemical Properties
Different sources of media describe the Chemical Properties of 8050-81-5 differently. You can refer to the following data:
1. Viscous, greyish-white, opalescent liquid.
2. The PhEur 6.0 and USP 32 describe simethicone as a mixture of
fully methylated linear siloxane polymers containing repeating units
of the formula [–(CH3)2SiO–]n, stabilized with trimethylsiloxy endblocking
units of the formula [(CH3)3 SiO–], and silicon dioxide. It
contains not less than 90.5% and not more than 99.0% of the
polydimethylsiloxane [–(CH3)2SiO–]n, and not less than 4.0% and not more than 7.0% of silicon dioxide. The PhEur 6.0 additionally
states that the degree of polymerization is between 20–400.
Simethicone occurs as a translucent, gray-colored, viscous fluid.
It has a molecular weight of 14 000–21 000.
Originator
Mylicon,Stuart,U.S.,1960
Uses
Different sources of media describe the Uses of 8050-81-5 differently. You can refer to the following data:
1. Antifoam A Concentrate has been used as a component of Luria Bertani culture medium for growth of BL21 (DE3) E. coli cells transformed with the plasmids. It has also been used as a constituent in the preparation of aerosol generation fluid.
2. Simethicone is an oral anti-foaming agent used to reduce bloating, discomfort and pain caused by excess gas in the stomach or intestinal tract. Simethicone is a mixture of polydimethylsiloxane and hydrated silica gel.
3. Simethicone Emulsion USP is a water dilutable, non-ionic emulsion containing 30% Simethicone USP by weight. Highly stable over a broad pH range.
Simethicones are used as anti foam agents in the manufacture of drugs. Their use in Pharmaceuticals is to comb
Production Methods
Silicon dioxide is initially rendered hydrophobic in one of a variety
of proprietary processes specific to a particular manufacturer. It is
then slowly mixed with the silicone fluids in a formulation. After
mixing, the simethicone is milled to ensure uniformity.
Manufacturing Process
In a 5 liter three-necked flask, fitted with a reflux condenser, agitator and
thermometer, were placed 1,393 g (9.41 mold) of redistilled (CH3)2Si(OEt)2
and 1,110 g (9.41 mols) of (CH3)3SiOEt. To this solution was added 254 g (14.11 mols) of water containing 7.5 g of NaOH (approximately 1 NaOH per
100 silicon atoms). This insured the formation of only straight chain polymers.
The mixture was heated to 40°C and the temperature continued to rise for
nearly an hour. After adding 50 cc (20% excess) more water, the mixture was
refluxed for two hours and then allowed to stand overnight.Alcohol was then distilled off, until the temperature reached 100°C. 1,706.6 g
of distillate was collected. (Theory 1,430 g.) This alcohol was poured into four
times its volume of water and an insoluble oil separated (457 g). The
insoluble fraction was added back to the copolymer residue from the
distillation and 555 cc of 20% hydrochloric acid was added. The acid mixture
was refluxed for two hours, and the silicon oils were carefully washed with
distilled water until neutral. The yield was 1,420 g. (Theory 1,409 g.)
Brand name
Gas-X (Novartis); Mylanta Gas Relief (Johnson & Johnson-Merck Consumer); Mylicon Infant’s Drops (Johnson & Johnson-Merck Consumer); Sentry Simethicone (Witco); Sentry Simethicone Emulsion (Witco).
Therapeutic Function
Antiflatulent
General Description
Antifoam A Concentrate is an extremely effective foam suppressor for aqueous and non-aqueous systems. It is 100% active silicone polymer. No emulsifiers are present. Antifoam A Concentrate is typically effective at 1-100 ppm. Antifoam A Concentrate should be diluted with 3-10 parts of propylene glycol (aqueous) or vegetable oil (nonaqueous) with slow mixing. The product will be stable in the pH range of 5 to 9. Antifoam A Concentrate can be added directly to a fermentation medium, but it is not recommended that it be pumped to a fermenter on an as-needed basis.
Pharmaceutical Applications
The main use of simethicone as an excipient is as an antifoaming
agent in pharmaceutical manufacturing processes, for which
1–50 ppm is used.
Therapeutically, simethicone is included in a number of oral
pharmaceutical formulations as an antiflatulent, although its
therapeutic benefit is questionable. It is also included in antacid
products such as tablets or capsules. In some types of surgical or
gastroscopic procedures where gas is used to inflate the body cavity,
a defoaming preparation containing simethicone may be used in the
area to control foaming of the fluids.
When simethicone is used in aqueous formulations, it should be
emulsified to ensure compatibility with the aqueous system and
components.
In the USA, up to 10 ppm of simethicone may be used in food
products.
Safety
Simethicone is used in cosmetics, foods, and oral and topical
pharmaceutical formulations, and is generally regarded as a
relatively nontoxic and nonirritant material when used as an
excipient. Direct contact with the eye may cause irritation.
Therapeutically, oral doses of 125–250mg of simethicone, three
or four times daily, have been given as an antiflatulent. Doses of
20–40 mg of simethicone have been given with feeds to relieve colic
in infants.
LD50 (dog, IV): 0.9 g/kg
storage
Simethicone is generally regarded as a stable material when stored
in the original unopened container. A shelf-life of 18 months from
the date of manufacture is typical. However, some simethicone
products have a tendency for the silicon dioxide to settle slightly and
containers of simethicone should therefore be shaken thoroughly to
ensure uniformity of contents before sampling or use. Simethicone
should be stored in a cool, dry, location away from oxidizing
materials.
Simethicone can be sterilized by dry heating or autoclaving. With
dry heating, a minimum of 4 hours at 160℃ is required.
Incompatibilities
Simethicone as supplied is not generally compatible with aqueous
systems and will float like an oil on a formulation unless it is first
emulsified. It should not be used in formulations or processing
conditions that are very acidic (below pH 3) or highly alkaline
(above pH 10), since these conditions may have some tendency to
break the polydimethylsiloxane polymer. Simethicone cannot
normally be mixed with polar solvents of any kind because it is
very minimally soluble. Simethicone is incompatible with oxidizing
agents.
Regulatory Status
GRAS listed. Included in the FDA Inactive Ingredients Database
(oral emulsions, powders, solutions, suspensions, tablets; and rectal
and topical preparations). Included in nonparenteral medicines
licensed in the UK.
Check Digit Verification of cas no
The CAS Registry Mumber 8050-81-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 8,0,5 and 0 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 8050-81:
(6*8)+(5*0)+(4*5)+(3*0)+(2*8)+(1*1)=85
85 % 10 = 5
So 8050-81-5 is a valid CAS Registry Number.
InChI:InChI=1/C6H18O2Si2.O2Si/c1-7-10(5,6)8-9(2,3)4;1-3-2/h1-6H3;
