Chemical substance record

Xylitol

87-99-0C₅H₁₂O₅152.146 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A pentitol (five-carbon sugar alcohol) having meso-configuration, being derived from xylose by reduction of the carbonyl group. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	87-99-0	ChEBI ↗
Molecular formula	C₅H₁₂O₅	ChEBI ↗
Molar mass	152.146 g/mol	ChEBI ↗
Monoisotopic mass	152.06847 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:17151	ChEBI ↗

Names & structural identifiers

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Source preferred name

xylitol

IUPAC name

(2R,3r,4S)-pentane-1,2,3,4,5-pentol

InChIKey

HEBKCHPVOIAQTA-SCDXWVJYSA-N

SMILES

OC[C@@H](O)[C@H](O)[C@@H](O)CO

InChI

InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+

Names & synonyms

(2R,3r,4S)-pentane-1,2,3,4,5-pentolmeso-xylitol

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

pentitolChEBI parent class · 25899 ↗

carbohydrate organic molecular entity

Roles recorded in ChEBI

antibacterial agenthypoglycemic agentsweetening agentallergenhaptenmouse metaboliteSaccharomyces cerevisiae metabolitehuman metabolitealgal metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00657263 mol

Uses 152.146 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

O

Oxygen · 5 atoms

52.58%

C

Carbon · 5 atoms

39.47%

H

Hydrogen · 12 atoms

7.95%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Xylitol disturbs protein synthesis, including the expression of HSP-70 and HSP-60, in Streptococcus mutans. ↗Oral microbiology and immunology · 2000 Aug · PMID 11154411

Xylitol in preventing acute otitis media. ↗Vaccine · 2000 Dec 8 · PMID 11163479

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:17151

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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