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Basic Information
CAS No.: 9004-32-4
Name: Carboxymethyl cellulose
Molecular Structure:
Molecular Structure of 9004-32-4 (Carboxymethyl cellulose)
Formula: C2H4O3.xNa.xUnspecified
Molecular Weight: 262.19000
Synonyms: Carboxymethylcellulose Sodium;Polyanionic Cellulose;Cellulose carboxymethyl ether sodium salt;Sodium carboxymethyl cellulose;CMC sodium salt;
EINECS: 900-432-4
Density: 1,6 g/cm3
Melting Point: 274 °C (dec.)
Boiling Point: 527.1°C at 760 mmHg
Flash Point: 286.7°C
Solubility: soluble
Appearance: POWDER
Hazard Symbols: R40:有限证据表明其致癌作用;
Risk Codes: 40
Safety: 24/25
PSA: 158.35000
LogP: -4.62260
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Specification

The Carboxymethyl cellulose, with the CAS registry number 9004-32-4, is also known as cellulose gum or CMC. It is a kind of polymer, and for detail, it is a cellulose derivative with carboxymethyl groups (-CH2-COOH) bound to some of the hydroxyl groups of the glucopyranose monomers that make up the cellulose backbone.

Physical properties about Carboxymethyl cellulose are: (1)#H bond acceptors: 8; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 10; (4)mp: 274 °C (dec.); (5)density: 1,6 g/cm3

Preparation of Carboxymethyl cellulose: It can be prepared by the alkali-catalyzed reaction of cellulose with chloroacetic acid. Because of its polar (organic acid) carboxyl groups, it is soluble and chemically reactive.

Uses of Carboxymethyl cellulose: It is a kind of widely used polymer. It can be used in food science as a viscosity modifier or thickener, and to stabilize emulsions in various products. It is used in the oil drilling industry as an ingredient of drilling mud, where it acts as a viscosity modifier and water retention agent. It can also be used in ice packs to form a eutectic mixture resulting in a lower freezing point and therefore more cooling capacity than ice. What's more, insoluble microgranular carboxymethyl cellulose is used as a cation-exchange resin in ion-exchange chromatography for purification of proteins.When you are using this chemical, please be cautious about it: Avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H12O6.C2H4O2.Na.H/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);; ;
(2)InChIKey=WCQWAJDGOJLSEQ-UHFFFAOYSA-N;
(3)SmilesO[C@@H]([C@@H](O)[C@@H](C=O)O)[C@@H](CO)O.C(C)(O)=O.[Na];

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 16000mg/kg (16000mg/kg)   Food Research. Vol. 13, Pg. 29, 1948.
mouse LD50 oral > 27gm/kg (27000mg/kg)   Proceedings of the European Society of Toxicology. Vol. 17, Pg. 351, 1976.
rabbit LD50 oral > 27gm/kg (27000mg/kg)   Proceedings of the European Society of Toxicology. Vol. 17, Pg. 351, 1976.
rabbit LD50 skin > 2gm/kg (2000mg/kg)   Toxicology Letters. Vol. (Suppl), Pg. 243, 1992.
rat LC50 inhalation > 5800mg/m3/4H (5800mg/m3)   Toxicology Letters. Vol. (Suppl), Pg. 243, 1992.
rat LD50 oral 27000mg/kg (27000mg/kg)   Food Research. Vol. 13, Pg. 29, 1948.

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