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488-81-3

488-81-3 structural image
Product Name: ADONITOL
Formula: C5H12O5
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description NKRA
Color/Form Monoclinic crystals from alcohol
Taste Relative sweetness equal to sucrose
Boiling Point 215-217
Melting Point 92-96
Solubility Very soluble in water, sparingly soluble in ethanol
Vapor Pressure 0.00247 [mmHg]
Stability/Shelf Life 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.
Decomposition Since xylitol is not utilized by most microoragnisms, products made with xylitol are usually safe from fermentation and microbial spoilage.
pH 5 to 7 (10 % w/v aqueous solution)
Collision Cross Section 136.3 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Other Experimental Properties Orthrhombic needles from tetrahydrofuran, prisms from ethanol; mp: 93-94.5 °C; density: 1.52. Solubility (g/100 g solution): absolute methanol 6.0; absolute ethanol 1.2; water 64.2 /Stable form/
Chemical Classes Other Classes -> Alcohols and Polyols, Other

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H314:Skin corrosion/irritation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 152.15 g/mol
XLogP3 -2.5
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 152.06847348 g/mol
Monoisotopic Mass 152.06847348 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 76.1
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Xylitol is a pentitol (five-carbon sugar alcohol) having meso-configuration, being derived from xylose by reduction of the carbonyl group. It has a role as a sweetening agent, an allergen, a hapten, a human metabolite, an algal metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite.

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