3D Mol Similar

XYLITOL

Iupac Name：(2S,4R)-pentane-1,2,3,4,5-pentol

CAS No.: 16277-71-7

Molecular Weight：152.15

Modify Date.: 2022-11-11 10:02

Introduction: Used as food sweetener View more+

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1. Names and Identifiers

1.1 Name: XYLITOL
1.2 Synonyms: 1,2,3,4,5-PENTAHYDROXYPENTANE D-XYLITOL XYLIT XYLITE

1.3 CAS No.: 16277-71-7

1.4 CID: 827

1.5 EINECS(EC#): 201-788-0

1.6 Molecular Formula: C5H12O5 (isomer)

1.7 Inchi: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2

1.8 InChkey: HEBKCHPVOIAQTA-UHFFFAOYSA-N

1.9 Canonical Smiles: C(C(C(C(CO)O)O)O)O

1.10 Isomers Smiles: C(C(C(C(CO)O)O)O)O

2. Properties

2.1 Melting point: 94-97 °C(lit.)

2.1 Boiling point: 215-217

2.1 Precise Quality: 152.06800

2.1 PSA: 101.15000

2.1 logP: -2.94630

2.1 Solubility: H2O: 0.1?g/mL, clear, colorless

2.2 Storage: 2-8°C

2.3 Decomposition: Since xylitol is not utilized by most microoragnisms, products made with xylitol are usually safe from fermentation and microbial spoilage.

2.4 PH: 5 to 7 (10 % w/v aqueous solution)

2.5 Water Solubility: H2O: 0.1?g/mL, clear, colorless

2.6 Stability: Xylitol is stable to heat but is marginally hygroscopic. Caramelization can occur only if it is heated for several minutes near ist boiling point. ... Milled and specialized granulated grades of xylitol have a tendency to cake and should therefore be used within 9 to 12 months. Aqueous xylitol solutions have been reported to be stable, even on prolonged heating and storage.

2.7 StorageTemp: 2-8°C

3. Safety and Handling

3.1 WGK Germany: 2

3.1 RTECS: ZF0800000

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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5. Computational chemical data

Molecular Weight: 152.15g/mol
Molecular Formula: C₅H₁₂O₅
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 152.06847348
Monoisotopic Mass: 152.06847348
Complexity: 76.1
Rotatable Bond Count: 4
Hydrogen Bond Donor Count: 5
Hydrogen Bond Acceptor Count: 5
Topological Polar Surface Area: 101
Heavy Atom Count: 10
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 2
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAIAAAAAQAAFAAABAADAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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CAS 16277-71-7 xylitol Available in stock