Microcrystalline cellulose
- Iupac Name：(6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
- CAS No.: 9004-34-6
- Molecular Weight：324.28
- Modify Date.: 2022-12-11 01:18
- Introduction: Odorless, white powdery fibers. Density 1.5 g cm-3. The biopolymer composing the cell wall of vegetable tissues. Prepared by treating cotton with an organic solvent to de-wax Cellulose microcrystalline and removing pectic acids by extration with a solution of sodium hydroxide. The principal fiber composing the cell wall of vegetable tissues (wood, cotton, flax, grass, etc.). Technical uses depend on the strength and flexibility of its fibers. Insoluble in water. Soluble with chemical degradation in sulfuric aicd, and in concentrated solutions of zinc chloride. Soluble in aqueous solutions of cupric ammonium hydroxide (Cu(NH3)4(OH)2).
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1. Names and Identifiers
- 1.1 Name
- Microcrystalline cellulose
- 1.2 Synonyms
(1->4)-beta-D-glucan 1H-Indene, 2,3-dihydro-2,4,7-trimethyl- 2,4,7-Trimethylindane AVICEL PH AVICEL PH 101(R) AVICEL PH 102 AVICEL PH 105(R) AVICEL SF AVICEL(R) ''AVICEL(R)'' AVIRIN EINECS 232-674-9 MFCD00081512 α-Cellulose
- 1.3 CAS No.
- 9004-34-6
- 1.4 CID
- 16211032
- 1.5 EINECS(EC#)
- 232-674-9
- 1.6 Molecular Formula
- (C12H20O10)n (isomer)
2. Properties
- 2.1 Density
- 1.5 g/cm3 (20℃)
- 2.1 Melting point
- 76-78 °C(Solv: acetone (67-64-1); chloroform (67-66-3))
- 2.1 Boiling point
- Decomposes (NIOSH, 2016)
- 2.1 Refractive index
- n20/D 1.504
- 2.1 Flash Point
- 164?°C
- 2.1 Precise Quality
- 162.05000
- 2.1 PSA
- 0.00000
- 2.1 logP
- 0.00000
- 2.1 Solubility
- insoluble
- 2.2 Appearance
- Pink powder
- 2.3 Storage
- Ambient temperatures.
- 2.4 Chemical Properties
- white powder
- 2.5 Color/Form
- White or almost white
- 2.6 Odor
- Odorless
- 2.7 PH
- The pH of the supernatant liquid is between 5,0 and 7,5 (10 % suspension in water)
- 2.8 Water Solubility
- insoluble | insoluble
- 2.9 Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- 2.10 StorageTemp
- room temp
3. Use and Manufacturing
- 3.1 General Description
- Odorless, white powdery fibers. Density 1.5 g cm-3. The biopolymer composing the cell wall of vegetable tissues. Prepared by treating cotton with an organic solvent to de-wax Cellulose microcrystalline and removing pectic acids by extration with a solution of sodium hydroxide. The principal fiber composing the cell wall of vegetable tissues (wood, cotton, flax, grass, etc.). Technical uses depend on the strength and flexibility of its fibers. Insoluble in water. Soluble with chemical degradation in sulfuric aicd, and in concentrated solutions of zinc chloride. Soluble in aqueous solutions of cupric ammonium hydroxide (Cu(NH3)4(OH)2).
- 3.2 Produe Method
- Microcrystalline cellulose and carboxymethylcellulose sodium is aspray- or bulk-dried blend of microcrystalline cellulose and sodiumcarboxymethylcellulose. It is prepared by the chemical depolymerizationof highly purified wood pulp. The original crystalline areasof the pulp fibers are combined with sodium carboxymethylcellulose,which serves as a protective colloid and also facilitatesdispersion of the product; it is then either spray- or bulk-dried.
- 3.3 Usage
- High purity cellulose powders for partition chromatography.
4. Safety and Handling
- 4.1 Hazard Codes
- Xi
- 4.1 Risk Statements
- 37
- 4.1 Safety Statements
- 24/25
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 Safety Profile
- A nuisance dust. When heated to decomposition it emits acrid smoke and irritating fumes.
- 4.2 Incompatibilities
- Microcrystalline cellulose and carboxymethylcellulose sodium isincompatible with strong oxidizing agents.
- 4.3 WGK Germany
- 3
- 4.3 RTECS
- FJ5950200
- 4.3 Safety
-
Hazard Codes?of Cellulose microcrystalline (CAS NO.9004-34-6):?
Xi
The Risk Statements information:
37: Irritating to the respiratory system?
The Safety Statements information:
24/25: Toxic in contact with skin and if swallowed
WGK Germany: 3
F: 3
- 4.4 Specification
-
? Cellulose microcrystalline , with CAS number of 9004-34-6, can be called Cellulobeads D 10 ; Celish PC 110S ; Avicel TG 101 ; Arbocel TF 30HG ; Arbocel BE 600-10TG ; Alpha Cel BH 100 .
- 4.5 Toxicity
- LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 2000 mg/kg
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | No symbol. |
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
6. Synthesis Route
9004-34-6Total: 3 Synthesis Route
8. Other Information
- 8.0 Definition
- A natural carbohydrate high polymer (polysaccha- ride) consisting of anhydroglucose units joined by an oxygen linkage to form long molecular chains that are essentially linear. It can be hydrolyzed to glucose. The degree of polymerization is from 1000 for wood pulp to 3500 for cotton fiber, giving a molecular weight from 160,000 to 560,000. Cellulose is a colorless solid, d approximately 1.50, insoluble in water and organic solvents. It will swell in sodium hydroxide solution and is soluble in Schweitzer’s reagent. It is the fundamental con- stituent of all vegetable tissues (wood, grass, cotton, etc.) and the most abundant organic material in the world. Cotton fibers are almost pure cellulose; wood contains approximately 50%. The physical structure of cellulose is unusual in that it is not a single crystal but consists of crystalline areas embedded in amorphous areas. Chemical reagents penetrate the latter more easily than the former. Cel- lulose is virtually odorless and tasteless and is com- bustible, with an ignition point of approximately 450F. In some forms, it is flammable. For example, railroad shipping regulations require a flammable label on such items as burnt fiber, burnt cotton, wet waste paper, and wet textiles. Fires have been known to occur in warehouses in which telephone books were stored. These were undoubtedly due to heat buildup in the paper caused by microbial activity and self-sustaining oxidation.
- 8.1 Production Methods
- Microcrystalline cellulose and carboxymethylcellulose sodium is a spray- or bulk-dried blend of microcrystalline cellulose and sodium carboxymethylcellulose. It is prepared by the chemical depolymerization of highly purified wood pulp. The original crystalline areas of the pulp fibers are combined with sodium carboxymethylcellulose, which serves as a protective colloid and also facilitates dispersion of the product; it is then either spray- or bulk-dried.
- 8.2 Production Methods
- Microcrystalline cellulose is manufactured by controlled hydrolysis with dilute mineral acid solutions of α-cellulose, obtained as a pulp from fibrous plant materials. Following hydrolysis, the hydrocellulose is purified by filtration and the aqueous slurry is spraydried to form dry, porous particles of a broad size distribution.
- 8.3 General Description
- Odorless, white powdery fibers. Density 1.5 g cm-3. The biopolymer composing the cell wall of vegetable tissues. Prepared by treating cotton with an organic solvent to de-wax Cellulose microcrystalline and removing pectic acids by extration with a solution of sodium hydroxide. The principal fiber composing the cell wall of vegetable tissues (wood, cotton, flax, grass, etc.). Technical uses depend on the strength and flexibility of its fibers. Insoluble in water. Soluble with chemical degradation in sulfuric aicd, and in concentrated solutions of zinc chloride. Soluble in aqueous solutions of cupric ammonium hydroxide (Cu(NH3)4(OH)2).
- 8.4 Reactivity Profile
- Cellulose microcrystalline is combustible. Incompatible with strong oxidizing agents including bromine pentafluoride, sodium nitrate, fluorine, perchlorates, perchloric acid, sodium chlorate, magnesium perchlorate, F2, zinc permanganate, sodium nitrite, sodium nitrate, sodium peroxide. Nitration with a mixture of nitric and sulfuric acids produces Cellulose microcrystalline nitrates (celluloid pyroxylin, soluble pyroxyline, guncotton) which are flammable or explosive.
- 8.5 Health Hazard
- Cellulose is inert and is classified as a nuisance dust.
It has little, if any, adverse effect on the lung, and there are no reports of organic disease or toxic effect. The health effects attributed to wood, cotton, flax, jute, and hemp are not attributable to their cellulose content but rather to the presence of other substances.
Cellulose fibers were found in the blood and urine of human volunteers fed dyed cellulose; there were no ill effects.
- 8.6 Pharmaceutical Applications
- Microcrystalline cellulose and carboxymethylcellulose sodium is used to produce thixotropic gels suitable as suspending vehicles in pharmaceutical and cosmetic formulations. The sodium carboxymethylcellulose aids dispersion and serves as a protective colloid.
Concentrations of less than 1% solids produce fluid dispersions, while concentrations of more than 1.2% solids produce thixotropic gels. When properly dispersed, it imparts emulsion stability, opacity and suspension in a variety of products, and is used in nasal sprays, topical sprays and lotions, oral suspensions, emulsions, creams and gels.
- 8.7 Industrial uses
- Cellulose is the main constituent of the structureof plants (natural polymer) that, whenextracted, is employed for making paper,plastics, and in many combinations. Celluloseis made up of long-chain molecules inwhich the complex unit C6H10O5 is repeatedas many as 2000 times. It consists of glucose molecules with three hydroxyl groups foreach glucose unit.
One of the simplest forms of cellulose usedindustrially is regenerated cellulose, in whichthe chemical composition of the finished productis similar to that of the original cellulose. Itis made from wood or cotton pulp digested ina caustic solution. Cellophane is a regeneratedcellulose in thin sheets for wrapping and otherspecial uses include windings on wire andcable.
- 8.8 Biochem/physiol Actions
- Cellulose helps in maintaining the structural stability of plant cell walls. It is an important component of paper and fabrics made from cotton, and linen.
- 8.9 Safety Profile
- A nuisance dust. When heated to decomposition it emits acrid smoke and irritating fumes.
- 8.10 Safety
- Microcrystalline cellulose is widely used in oral pharmaceutical formulations and food products and is generally regarded as a relatively nontoxic and nonirritant material.
Microcrystalline cellulose is not absorbed systemically following oral administration and thus has little toxic potential. Consumption of large quantities of cellulose may have a laxative effect, although this is unlikely to be a problem when cellulose is used as an excipient in pharmaceutical formulations.
Deliberate abuse of formulations containing cellulose, either by inhalation or by injection, has resulted in the formation of cellulose granulomas.
- 8.11 storage
- Microcrystalline cellulose and carboxymethylcellulose sodium is hygroscopic and should not be exposed to moisture. It is stable over a pH range of 3.5–11. Store in a cool, dry place. Avoid exposure to excessive heat.
- 8.12 Incompatibilities
- Microcrystalline cellulose is incompatible with strong oxidizing agents.
- 8.13 Regulatory Status
- Microcrystalline cellulose and carboxymethylcellulose sodium is a mixture of two materials both of which are generally regarded as nontoxic:
Microcrystalline cellulose GRAS listed. Accepted for use as a food additive in Europe. Included in the FDA Inactive Ingredients Database (inhalations; oral capsules, powders, suspensions, syrups, and tablets; topical and vaginal preparations). Included in nonparenteral medicines licensed in the UK. Included in the Canadian List of Acceptable Non-medicinal Ingredients.
Carboxymethylcellulose sodium GRAS listed. Accepted as a food additive in Europe. Included in the FDA Inactive Ingredients Database (dental preparations; intra-articular, intrabursal, intradermal, intralesional, and intrasynovial injections; oral drops, solutions, suspensions, syrups and tablets; topical preparations). Included in nonparenteral medicines licensed in the UK. Included in the Canadian List of Acceptable Nonmedicinal Ingredients.
- 8.14 水溶性
- insoluble
- 8.15 蒸汽压
- 1.08E-20mmHg at 25°C
- 8.16 Usage
- Cellulose, microcrystalline is used as an emulsifier, bulking agent in food production, extender and anti-caking agent. It is also used in vitamin supplements or tablets. It acts as an alternative to carboxymethylcellulose. It finds application in partition chromatography. Further, it is used as a thickener and stabilizer. In addition to this, it is used as an excipient in the pharmaceutical industry.
- 8.17 Merck
- 14,1965
- 8.18 Chemical Properties
- Microcrystalline cellulose and carboxymethylcellulose sodium occurs as a white or off-white odorless and tasteless hygroscopic powder containing 5–22% sodium carboxymethylcellulose. It is a water-dispersible organic hydrocolloid.
- 8.19 Chemical Properties
- Microcrystalline cellulose is a purified, partially depolymerized cellulose that occurs as a white, odorless, tasteless, crystalline powder composed of porous particles. It is commercially available in different particle sizes and moisture grades that have different properties and applications.
- 8.20 Occurrence
- The fiber in typical paper can be called “cellulosic”, meaning that cellulose is its most prominent component. Cellulose is present not only in wood, but also in various non-woody plants, such as straw, sugarcane (bagasse), reeds, and hemp.
- 8.21 Uses
- High purity cellulose powders for partition chromatography.
- 8.22 Uses
- ACCEL-101 is most widely used for direct compression tableting and wet granulation. ACCEL-102 has similar compression properties to ACCEL-101. However, it has larger particle size and therefore, may be of value in improving the flow if fine powders. ACCEL
- 8.23 Uses
- cellulose is a thickener and an emulsifier. It is obtained from plants. cellulose (microcrystalline) is used as an emulsifier in cosmetic creams. It is the chief constituent of plant fiber.
- 8.24 Uses
-
Wood contains 50–70% cellulose; cotton and other textile fibers of plant origin contain 65–95%; rayon is prepared by dissolving natural cellulose and then precipitating it from solution, with some loss of crystallinity. Cellulose is made into cellophane film and is used to form fibers, resins, coatings and gums.
- 8.25 Uses
- Cellulose is a carbohydrate polymer made up of glucose units. It consists of fibrous particles and is used as a fiber source and bulking agent in low-calorie formulations.
- 8.26 Uses
- Microcrystalline Cellulose is a gum that is the nonfibrous form of cellulose, an alpha-cellulose. It is dispersible in water but not soluble, requiring considerable energy to disperse and hydrate. In this form it is used in dry applications such as tableting, capsules, and shredded cheese where it functions as a non-nutritive filler, binder, flow aid, and anticaking agent. By the addition of carboxymethylcellulose to the alpha-cellulose prior to drying, improved functional properties of hydration and dispersion are obtained. This product is designed for use in water dispersions, being insoluble in water but dispersing in water to form colloidal sols below 1% and white opaque gels above the 1% usage level. It is used as a heat shock stabilizer and bodying agent in frozen desserts, as an opacifier in low-fat dressings, as a foam stabilizer in whipped toppings, and as an emulsifier in dressings. Also termed cellulose gel.
9. Computational chemical data
- Molecular Weight: 324.28g/mol
- Molecular Formula: (C12H20O10)n
- Compound Is Canonicalized: True
- XLogP3-AA: -4.7
- Exact Mass: 342.11621151
- Monoisotopic Mass: 342.11621151
- Complexity: 382
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 11
- Topological Polar Surface Area: 190
- Heavy Atom Count: 23
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count: 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceBwPAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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