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| CAS No.: | 9000-11-7 |
|---|---|
| Name: | Carboxymethyl cellulose |
| Molecular Structure: | |
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| Formula: | C2H4O3.x-Unspecified |
| Molecular Weight: | 240.20800 |
| Synonyms: | Carmelose;CM-Cellulose;Carboxymethyl cellulose ether;CMC;Carboxyl Methyl Cellulose(CMC);Cellulose CM;Cellulose CM;Carboxymethylcellulose; |
| EINECS: | 900-432-4 |
| Density: | 1.450 g/cm3 |
| Boiling Point: | 527.1oC at 760 mmHg |
| Flash Point: | 286.7oC |
| Appearance: | White powder |
| PSA: | 155.52000 |
| LogP: | -3.28790 |
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Specification
Carboxymethylcellulose, its cas register number is 9000-11-7. It also can be called CM-Cellulose; Carboxymethyl cellulose; CMC; and Cellulose CM. Carboxymethylcellulose should be stored in a cool, dry place or stored in a tightly closed container. It is often used as its sodium salt, sodium carboxymethyl cellulose.CMC is known for its excellent water retaining capacity. Carboxymethylcellulose is a derivative of cellulose formed by its reaction with alkali and chloroacetic acid.
Physical properties about Carboxymethylcellulose are: (1)ACD/LogP: -3.169; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.17; (4)ACD/LogD (pH 7.4): -3.17; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Flash Point: 286.7 °C; (13)Enthalpy of Vaporization: 92.22 kJ/mol; (14)Boiling Point: 527.1 °C at 760 mmHg; (15)Vapour Pressure: 2.59E-13 mmHg at 25°C
Preparation of Carboxymethylcellulose: It is synthesized by the alkali-catalyzed reaction of cellulose with chloroacetic acid. The polar (organic acid) carboxyl groups render the cellulose soluble and chemically reactive.
Uses of Carboxymethylcellulose: CMC is used in food science as a viscosity modifier or thickener, and to stabilize emulsions in various products including ice cream. CMC is also used in pharmaceuticals as a thickening agent, and in the oil-drilling industry as an ingredient of drilling mud, where it acts as a viscosity modifier and water retention agent. In addition, CMC is used to achieve tartrate or cold stability in wine. This innovation may save megawatts of electricity used to chill wine in warm climates. It is more stable than metatartaric acid and is very effective in inhibiting tartrate precipitation
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)C.O=CC(O)C(O)C(O)C(O)CO;
(2)Std. InChI:InChI=1S/C6H12O6.C2H4O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h1,3-6,8-12H,2H2;1H3,(H,3,4);
(3)Std. InChIKey:VJHCJDRQFCCTHL-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD | oral | > 5gm/kg (5000mg/kg) | Food Research. Vol. 9, Pg. 175, 1944. | |
| mammal (species unspecified) | LD50 | unreported | 13340mg/kg (13340mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(5), Pg. 14, 1987. | |
| mouse | LD50 | intravenous | 47mg/kg (47mg/kg) | Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 274, 1970. | |
| rabbit | LD | oral | > 5gm/kg (5000mg/kg) | Food Research. Vol. 9, Pg. 175, 1944. | |
| rat | LD | oral | > 5gm/kg (5000mg/kg) | Food Research. Vol. 9, Pg. 175, 1944. |