Chitosan, 2-hydroxypropyl ether
Also known as hydroxypropyl chitosan, Chitofilmer, 2-Hydroxypropyl Ether Chitosan
Key facts
What buyers check first
- CAS number
- 84069-44-3
- Formula
- C51H101N3O24
- Molar mass
- 1,140.37 g/mol
- HS code
- 293299
- Category
- Coagulants and flocculants
What is Chitosan, 2-hydroxypropyl ether?
Plain description, key identifiers and synonyms
Chitosan, 2-hydroxypropyl ether is a chemical substance with the molecular formula C51H101N3O24 and a molar mass of 1,140.37 g/mol. Its CAS registry number is 84069-44-3. The IUPAC name is 1-[[(2R,5S)-5-[(2S,5S)-5-[(2S,5S)-4,5-bis(2-hydroxypropoxy)-6-(2-hydroxypropoxymethyl)-3-(2-hydroxypropylamino)oxan-2-yl]oxy-4-(2-hydroxypropoxy)-6-(2-hydroxypropoxymethyl)-3-(2-hydroxypropylamino)oxan-2-yl]oxy-2,4-bis(2-hydroxypropoxy)-6-(2-hydroxypropoxymethyl)oxan-3-yl]amino]propan-2-ol.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 1-[[(2R,5S)-5-[(2S,5S)-5-[(2S,5S)-4,5-bis(2-hydroxypropoxy)-6-(2-hydroxypropoxymethyl)-3-(2-hydroxypropylamino)oxan-2-yl]oxy-4-(2-hydroxypropoxy)-6-(2-hydroxypropoxymethyl)-3-(2-hydroxypropylamino)oxan-2-yl]oxy-2,4-bis(2-hydroxypropoxy)-6-(2-hydroxypropoxymethyl)oxan-3-yl]amino]propan-2-ol
- CAS number
- 84069-44-3
- Molecular formula
- C51H101N3O24
- INCI name
- HYDROXYPROPYL CHITOSAN
- InChIKey
- DLGSBBASGAIJDP-SEICLPINSA-N
- InChI
- InChI=1S/C51H101N3O24/c1-26(55)12-52-40-47(71-20-34(9)63)44(38(24-67-16-30(5)59)74-49(40)73-22-36(11)65)77-51-42(54-14-28(3)57)48(72-21-35(10)64)45(39(76-51)25-68-17-31(6)60)78-50-41(53-13-27(2)56)46(70-19-33(8)62)43(69-18-32(7)61)37(75-50)23-66-15-29(4)58/h26-65H,12-25H2,1-11H3/t26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43-,44-,45-,46?,47?,48?,49-,50+,51+/m1/s1
- Canonical SMILES
- CC(O)CNC1C(OC2C(COCC(C)O)OC(OC3C(COCC(C)O)OC(OCC(C)O)C(NCC(C)O)C3OCC(C)O)C(NCC(C)O)C2OCC(C)O)OC(COCC(C)O)C(OCC(C)O)C1OCC(C)O
- Isomeric SMILES
- CC(CNC1[C@@H](OC([C@H](C1OCC(C)O)O[C@H]2C(C([C@@H](C(O2)COCC(C)O)O[C@H]3C(C([C@@H](C(O3)COCC(C)O)OCC(C)O)OCC(C)O)NCC(C)O)OCC(C)O)NCC(C)O)COCC(C)O)OCC(C)O)O
Synonyms
- hydroxypropyl chitosan
- Chitofilmer, 2-Hydroxypropyl Ether Chitosan
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 1,140.37 g/molcalc.Computed value |
|---|---|
| Exact mass | 1,139.6775 Dacalc.Computed value |
| LogP (octanol/water) | -4.4calc.Computed value |
| Topological polar surface area | 378.6 Ųcalc.Computed value |
| Hydrogen bond donors | 14calc.Computed value |
| Hydrogen bond acceptors | 27calc.Computed value |
| Rotatable bonds | 40calc.Computed value |
| Heavy atoms | 78calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 1calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 26calc.Computed value |
| Lipinski rule of five | Fails (3 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Chitosan, 2-hydroxypropyl ether suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
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Chitosan, 2-hydroxypropyl ether price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Use classes: Cosmetics.
Industries and functions
Cosmetic ingredient, INCI name HYDROXYPROPYL CHITOSAN(film forming)
Functional uses
- Film former
- Thickening agent
Cosmetic functions
- Film forming
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Chitosan, 2-hydroxypropyl ether is traded under.
Heterocyclic compounds with oxygen hetero-atom(s) only, other
- China28.9%
- Switzerland * partner reported12.7%
- Germany7.8%
- United States49.7%
- China11.9%
- India * partner reported3.3%
* Partner reported figures, a lower bound.
The HS code shown for Chitosan, 2-hydroxypropyl ether is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Chitosan, 2-hydroxypropyl ether, based on the data on this page
What is Chitosan, 2-hydroxypropyl ether?
What is the CAS number of Chitosan, 2-hydroxypropyl ether?
What is the molecular formula and weight of Chitosan, 2-hydroxypropyl ether?
What is Chitosan, 2-hydroxypropyl ether used for?
Is Chitosan, 2-hydroxypropyl ether hazardous?
What is the HS code of Chitosan, 2-hydroxypropyl ether?
Where can I buy Chitosan, 2-hydroxypropyl ether?
What is the price of Chitosan, 2-hydroxypropyl ether?
Guides for buyers
Practical guides that help when you source, ship or handle Chitosan, 2-hydroxypropyl ether
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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