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Chemical substance record

Propane-1,2-diol

57-55-6C3H8O276.095 g/mol

The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (−59°C) and high-boiling (188°C) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. — ChEBI

Safety references

Safety documents & references

1 indexed references
JP · NITE

Government GHS classification

H30-A-003-METI, MOE · FY2018

View classification

Find a product-specific SDS

Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values
CAS number57-55-6ChEBI ↗
Molecular formulaC3H8O2ChEBI ↗
Molar mass76.095 g/molChEBI ↗
Monoisotopic mass76.05243 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:16997ChEBI ↗

Cross-source molecular data

PubChem
Molar mass76.09 g/molPubChem ↗
Exact mass76.052429494 DaPubChem ↗
Computed XLogP-0.9PubChem ↗
Topological polar surface area (Ų)40.5PubChem ↗
H-bond donors2PubChem ↗
H-bond acceptors2PubChem ↗
Rotatable bonds1PubChem ↗

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

Copy any identifier
propane-1,2-diol
propane-1,2-diol
DNIAPMSPPWPWGF-UHFFFAOYSA-N
CC(O)CO
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

protic solventallergenmouse metabolitehuman xenobiotic metabolite

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

Safety classification · Japan

NITE / Japanese government
Japan · FY2018 source classification
Propane-1,2-diol (Propylene glycol) · H30-A-003-METI, MOE
EndpointReported classification
Specific target organ toxicity - Single exposureCategory 1 (central nervous system, haemal system), Category 3 (narcotic effects)
Specific target organ toxicity - Repeated exposureCategory 1 (central nervous system, respiratory organs)

Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.

Read the original NITE classification

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.0131415 mol

Uses 76.095 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 · 3 atoms
47.35%
O
Oxygen · 2 atoms
42.05%
H
Hydrogen · 8 atoms
10.60%

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
Propylene glycol is essential in the LCModel basis set for pediatric 1H-MRS. ↗Journal of computer assisted tomography · 2005 Jan-Feb · PMID 15665701
Fatalities by ingestion of propylene glycol. ↗Journal of forensic sciences · 2005 Jul · PMID 16078503

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:16997

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

NCBI PubChem · CID 1030 · 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.