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XYLITOL structure
XYLITOL structure

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+
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

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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7. Realated Product Infomation