Chemical substance record

Triacetin

102-76-1C₉H₁₄O₆218.205 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A triglyceride obtained by acetylation of the three hydroxy groups of glycerol. It has fungistatic properties (based on release of acetic acid) and has been used in the topical treatment of minor dermatophyte infections. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	102-76-1	ChEBI ↗
Molecular formula	C₉H₁₄O₆	ChEBI ↗
Molar mass	218.205 g/mol	ChEBI ↗
Monoisotopic mass	218.07904 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:9661	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	218.20 g/mol	PubChem ↗
Exact mass	218.07903816 Da	PubChem ↗
Computed XLogP	0.2	PubChem ↗
Topological polar surface area (Å²)	78.9	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	6	PubChem ↗
Rotatable bonds	8	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

triacetin

IUPAC name

propane-1,2,3-triyl triacetate

InChIKey

URAYPUMNDPQOKB-UHFFFAOYSA-N

SMILES

CC(=O)OCC(COC(C)=O)OC(C)=O

InChI

InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3

Names & synonyms

Enzactinpropane-1,2,3-triyl triacetatetriacetinatriacetinetriacetinum

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

Classification & relationships

ChEBI ontology

triglycerideChEBI parent class · 17855 ↗

ester lipid organic molecular entity

Roles recorded in ChEBI

solventadjuvantfuel additivefood emulsifierplant metabolitefood humectantfood additive carrierantifungal drug

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

0.00458285 mol

Uses 218.205 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 9 atoms

49.54%

O

Oxygen · 6 atoms

43.99%

H

Hydrogen · 14 atoms

6.47%

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

Final report on the safety assessment of triacetin. ↗International journal of toxicology · 2003 · PMID 14555416

Development and validation of RP-HPLC method: scope of application in the determination of oil solubility of paclitaxel. ↗Journal of chromatographic science · 2014 Jan · PMID 23293041

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:9661

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

Additional molecular descriptorsNCBI PubChem · CID 5541 · retrieved 2026-09-27

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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