Product Name

  • Name

    Chitosan

  • EINECS 222-311-2
  • CAS No. 9012-76-4
  • Article Data23
  • CAS DataBase
  • Density 1.75g/cm3
  • Solubility
  • Melting Point 88oC
  • Formula (C6H11NO4)n
  • Boiling Point
  • Molecular Weight 161.16
  • Flash Point
  • Transport Information
  • Appearance white Powder
  • Safety 24/25-36-26
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 9012-76-4 (Chitosan)
  • Hazard Symbols Xn
  • Synonyms Flonac C;Chitosan H;Marinkaito F 05N;Marinkaito F 05S;KW 5;TKS 250N;Sea Cure 123;FCM 117;SK 10 (polysaccharide);HC 1 (polysaccharide);North Chitosan MC 1;OTS 2;Sea Cure 143;SK 200;Sea Cure 340;HI-DENSITY CHITOSAN;Chitopearl BCW 3505;Chiton (molluscan common name)Chitopearl 3510;Chitopearl BCW 3507;Hiset KW 5;WOT Recovery Floc T;Kytex M;Sea Cure 243;Chitosan EL;Hydagen HCMF;Profloc 320;
  • PSA 95.94000
  • LogP -1.52550

Synthetic route

chitin, average molecular weight 70 kDa

chitin, average molecular weight 70 kDa

chitosan

chitosan

Conditions
ConditionsYield
With sodium hydroxide In water for 120h; Reflux;98%
chitin

chitin

chitosan

chitosan

Conditions
ConditionsYield
With sodium hydroxide at 60℃; for 72h;92.6%
With sodium hydroxide at 121℃; under 775.722 Torr; for 0.0833333h; Product distribution; Further Variations:; Temperatures; NaOH concentration; Deacetylation;
With sodium hydroxide at 110℃; for 4h;
chitosan acetate

chitosan acetate

chitosan

chitosan

Conditions
ConditionsYield
With sodium hydroxide; water for 5h;
β-chitin

β-chitin

chitosan

chitosan

Conditions
ConditionsYield
With sodium hydroxide at 100℃; for 1h;
chitin from Zophobas morio larvae

chitin from Zophobas morio larvae

chitosan

chitosan

Conditions
ConditionsYield
With sodium hydroxide at 90℃; for 30h;
allyl bromide
106-95-6

allyl bromide

chitosan

chitosan

chitosan, N-allyl derivative, degree of substitution: 0.08-0.10

chitosan, N-allyl derivative, degree of substitution: 0.08-0.10

Conditions
ConditionsYield
In neat (no solvent, solid phase) at -5 - -2℃;100%
chitosan

chitosan

methyl iodide
74-88-4

methyl iodide

N,N,N-trimethylchitosan

N,N,N-trimethylchitosan

Conditions
ConditionsYield
Stage #1: chitosan With hydrogenchloride In water; N,N-dimethyl-formamide at 20℃;
Stage #2: methyl iodide In water; N,N-dimethyl-formamide at 20℃; for 1h;
Stage #3: With sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 60℃; for 26h;		99%
With sodium iodide; sodium hydroxide In 1-methyl-pyrrolidin-2-one at 40℃; for 8h;
Stage #1: chitosan With 1-methyl-pyrrolidin-2-one at 20℃;
Stage #2: With sodium iodide; sodium hydroxide at 60℃; for 0.333333h;
Stage #3: methyl iodide Further stages;
1,4-β-D-poly-mannuronic acid

1,4-β-D-poly-mannuronic acid

chitosan

chitosan

chitosan-1,4-β-D-poly-mannuronic acid adduct

chitosan-1,4-β-D-poly-mannuronic acid adduct

Conditions
ConditionsYield
With sodium carbonate; acetic acid at 100℃; pH=4; Microwave irradiation;97%
D-melibiose
536-11-8, 645-03-4, 902-54-5, 3031-35-4, 4604-26-6, 5340-95-4, 5995-99-3, 5996-00-9, 13299-20-2, 13299-21-3, 15548-40-0, 16750-26-8, 16967-97-8, 23339-29-9, 24822-33-1, 33428-65-8, 34674-94-7, 35867-21-1, 37169-69-0, 37169-72-5, 38533-27-6, 50271-70-0, 65207-30-9, 82729-73-5, 95463-59-5, 100427-99-4, 100430-37-3, 100483-14-5, 102572-70-3, 110658-40-7, 123809-47-2, 140461-60-5, 143615-15-0

D-melibiose

chitosan

chitosan

chitosan-melibiose conjugate

chitosan-melibiose conjugate

Conditions
ConditionsYield
With sodium cyanoborohydride In methanol; water; acetic acid at 20℃; for 24h;95%
chitosan

chitosan

p-formylphenyl β-melibioside

p-formylphenyl β-melibioside

chitosan-p-formylphenyl β-melibioside conjugate

chitosan-p-formylphenyl β-melibioside conjugate

Conditions
ConditionsYield
With sodium cyanoborohydride In methanol; water; acetic acid at 20℃; for 24h;95%
1,4-α-L-poly-guluronic acid

1,4-α-L-poly-guluronic acid

chitosan

chitosan

chitosan-1,4-α-L-poly-guluronic acid adduct

chitosan-1,4-α-L-poly-guluronic acid adduct

Conditions
ConditionsYield
With sodium carbonate; acetic acid at 100℃; pH=4; Microwave irradiation;95%
N-(tert-butoxycarbonyl)-3-aminopropanal
58885-60-2

N-(tert-butoxycarbonyl)-3-aminopropanal

chitosan

chitosan

N-(3-{[(tert-butoxy)carbonyl]amino}propyl)chitosan

N-(3-{[(tert-butoxy)carbonyl]amino}propyl)chitosan

Conditions
ConditionsYield
Stage #1: N-(tert-butoxycarbonyl)-3-aminopropanal; chitosan With acetic acid In methanol; water at 20℃; for 1h;
Stage #2: With sodium cyanoborohydride In methanol; water for 24h;		95%
1-isocyanato-3-trifluoromethyl-benzene
329-01-1

1-isocyanato-3-trifluoromethyl-benzene

chitosan

chitosan

N-(3-trifluoromethylphenylcarbamoyl)chitosan

N-(3-trifluoromethylphenylcarbamoyl)chitosan

Conditions
ConditionsYield
With acetic acid In methanol; water at 20℃; for 72h; pH=2.8 - 6.3;94%
Taurocholic acid
81-24-3

Taurocholic acid

chitosan

chitosan

chitosan-taurocholic acid conjugate

chitosan-taurocholic acid conjugate

Conditions
ConditionsYield
Stage #1: Taurocholic acid With 4-Nitrophenyl chloroformate; triethylamine In dimethyl sulfoxide at 0 - 20℃; for 1h;
Stage #2: chitosan In water; dimethyl sulfoxide at 20℃; for 24h;		92%
tert-butyl (S)-{3-methyl-1-[methyl(6-oxohexyl)amino]butan-2-yl}carbamate

tert-butyl (S)-{3-methyl-1-[methyl(6-oxohexyl)amino]butan-2-yl}carbamate

chitosan

chitosan

N-(6-{[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutyl](methyl)amino}hexyl)chitosan

N-(6-{[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutyl](methyl)amino}hexyl)chitosan

Conditions
ConditionsYield
Stage #1: tert-butyl (S)-{3-methyl-1-[methyl(6-oxohexyl)amino]butan-2-yl}carbamate; chitosan With acetic acid In methanol; water at 20℃; for 1h;
Stage #2: With sodium cyanoborohydride In methanol; water for 24h;		90%
linoleic acid
60-33-3

linoleic acid

chitosan

chitosan

linoleic acid-modified chitosan

linoleic acid-modified chitosan

Conditions
ConditionsYield
With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In methanol; water; acetic acid at 20℃; for 24h;88%
(9H-fluoren-9-yl)methyl (5-oxopentyl)carbamate
952661-21-1

(9H-fluoren-9-yl)methyl (5-oxopentyl)carbamate

chitosan

chitosan

N-(5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentyl)chitosan

N-(5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentyl)chitosan

Conditions
ConditionsYield
Stage #1: (9H-fluoren-9-yl)methyl (5-oxopentyl)carbamate; chitosan With acetic acid In methanol; water at 20℃; for 1h;
Stage #2: With sodium cyanoborohydride In methanol; water for 24h;		88%
chitosan

chitosan

Hexamethylene diisocyanate
822-06-0

Hexamethylene diisocyanate

isocyanate-functionalized chitosan

isocyanate-functionalized chitosan

Conditions
ConditionsYield
With triethylamine In toluene at 20℃; for 24h; Inert atmosphere;87%
phthalic anhydride
85-44-9

phthalic anhydride

chitosan

chitosan

N-phthaloylchitosan

N-phthaloylchitosan

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 130℃; for 22h;85%
In N,N-dimethyl-formamide Heating;
In N,N-dimethyl-formamide at 60 - 120℃; Inert atmosphere;
phthalic anhydride
85-44-9

phthalic anhydride

chitosan

chitosan

phthaloylchitosan

phthaloylchitosan

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 130℃; for 8h; Inert atmosphere;83%
phthalic anhydride
85-44-9

phthalic anhydride

chitosan

chitosan

N-(2-carboxy)benzoyl chitosan

N-(2-carboxy)benzoyl chitosan

Conditions
ConditionsYield
With acetic acid In methanol at 35℃;82%
phthalic anhydride
85-44-9

phthalic anhydride

chitosan

chitosan

N-phthaloyl chitosan

N-phthaloyl chitosan

Conditions
ConditionsYield
In 1-methyl-pyrrolidin-2-one; water; N,N-dimethyl-formamide at 120℃; for 8h; Inert atmosphere;82%
In water; N,N-dimethyl-formamide at 120℃; for 8h; Inert atmosphere; chemoselective reaction;10.5 g
tert-Butyl acrylate
1663-39-4

tert-Butyl acrylate

chitosan

chitosan

N-alkylated chitosan with tert-butyl acrylate

N-alkylated chitosan with tert-butyl acrylate

Conditions
ConditionsYield
In methanol; water; acetic acid at 40℃; for 240h; Alkylation;80%
dimethyl cis-but-2-ene-1,4-dioate
624-48-6

dimethyl cis-but-2-ene-1,4-dioate

chitosan

chitosan

N-alkylated chitosan with dimethyl maleate

N-alkylated chitosan with dimethyl maleate

Conditions
ConditionsYield
In methanol; water; acetic acid at 40℃; for 240h; Alkylation;80%
acrylonitrile
107-13-1

acrylonitrile

chitosan

chitosan

N-alkylated chitosan with acrylonitrile

N-alkylated chitosan with acrylonitrile

Conditions
ConditionsYield
In methanol; water; acetic acid at 40℃; for 240h; Alkylation;80%
2-propenamide
79-06-1

2-propenamide

chitosan

chitosan

N-alkylated chitosan with acrylamide

N-alkylated chitosan with acrylamide

Conditions
ConditionsYield
In methanol; water; acetic acid at 40℃; for 240h; Alkylation;80%
acrylic acid methyl ester
292638-85-8

acrylic acid methyl ester

chitosan

chitosan

N-carboxyethyl chitosan methyl ester

N-carboxyethyl chitosan methyl ester

Conditions
ConditionsYield
With triethylamine In methanol; water; acetic acid at 40℃; for 120h; Alkylation;80%
acrylic acid
79-10-7

acrylic acid

chitosan

chitosan

N-alkylated chitosan with acrylic acid

N-alkylated chitosan with acrylic acid

Conditions
ConditionsYield
In methanol; water; acetic acid at 40℃; for 240h; Alkylation;80%
chitosan

chitosan

p-dimethylaminocinnamaldehyde
6203-18-5

p-dimethylaminocinnamaldehyde

N-(4-N,N-Dimethylaminocinnamyl) chitosan

N-(4-N,N-Dimethylaminocinnamyl) chitosan

Conditions
ConditionsYield
Stage #1: chitosan; p-dimethylaminocinnamaldehyde With acetic acid In ethanol at 20℃; for 12h;
Stage #2: With sodium cyanoborohydride In ethanol at 20℃; for 24h;		77.6%
butyraldehyde
123-72-8

butyraldehyde

chitosan

chitosan

N,N-dibutyl chitosan

N,N-dibutyl chitosan

Conditions
ConditionsYield
Stage #1: butyraldehyde; chitosan With acetic acid at 40℃; for 24h;
Stage #2: With sodium tetrahydroborate for 120h;		76%
benzyl N-(4-aminophenethyl)-N-methyl-L-valinate dihydrochioride
82333-93-5

benzyl N-(4-aminophenethyl)-N-methyl-L-valinate dihydrochioride

chitosan

chitosan

6-O-maleimidehexanoyl chitosan

6-O-maleimidehexanoyl chitosan

Conditions
ConditionsYield
With methanesulfonic acid at 20℃;76%
3,5-bistrifluoromethylphenylisothiocyanate
23165-29-9

3,5-bistrifluoromethylphenylisothiocyanate

chitosan

chitosan

N-(N-[3,5-bis(trifluoromethyl)phenyl]carbamothioyl)chitosan

N-(N-[3,5-bis(trifluoromethyl)phenyl]carbamothioyl)chitosan

Conditions
ConditionsYield
With acetic acid In methanol; water at 36℃; for 24h;75%
C8H16N2S

C8H16N2S

chitosan

chitosan

N-(N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]carbamothioyl)chitosan

N-(N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]carbamothioyl)chitosan

Conditions
ConditionsYield
With acetic acid In methanol; water at 36℃;71%

Chitosan History

It was in the 1980s when the reserch and applications in agriculture and horticulture is begin.

Chitosan Specification

The Chitosan, with the cas registry number 9012-76-4, is a kind of white colorless solid. This is stable but incompatible with strong oxidizing agents. And its product categories are including Miscellaneous Natural Products; Biochemistry; Polysaccharides; Sugars; Nutritional Supplements; Dextrins Sugar & Carbohydrates.

The physical properties of this chemical are as follows: (1)# of Rule of 5 Violations: 3; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 48; (7)#H bond donors: 37; (8)#Freely Rotating Bonds: 55; (9)Polar Surface Area: 808; (10)Index of Refraction: 1.701; (11)Molar Refractivity: 336.803 cm3; (12)Molar Volume: 870.564 cm3; (13)Polarizability: 133.519 ×10-24 cm3; (14)Surface Tension: 122.211 dyne/cm; (15)Density: 1.753 g/cm3; (16)Exact Mass: 179.079373; (17)MonoIsotopic Mass: 179.079373; (18)Topological Polar Surface Area: 116; (19)Heavy Atom Count: 12; (20)Complexity: 155.

The production method of this chemical is below: Add 20g Chitosan into the 300mL 50% NaOH solvent and wait for its complete infiltration; Then heat to 95℃ for about 1.5 hours, filter out the alkali liquor and then wash to be neutral; Lastly cool and dry to have colorless transparent schistose products 15.6g.

As to its usage, it is widely applied in many ways. It could be used as antistaling agent which is usually used in food industry, and thickening agent, flocculating agent; It could also be used in pharmaceutic, agricultural seed, daily expenses, waste water treatment.

When you are dealing with this chemical, you should be very cautious. Being a kind of harmful chemicals, it may cause damage to health. If by inhalation, in contact with skin and if swallowed, it is dangerous. Then it is irritating to eyes, respiratory system and skin. Therefore, you shoud take the following instructions. Wear suitable protective clothing, and then avoid contacting with skin and eyes. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(C1C(C(C(C(O1)O)N)O)O)O
(2)Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O
(3)InChI: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,-/m1/s1
(4)InChIKey: MSWZFWKMSRAUBD-QZABAPFNSA-N 

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